3690-0152 Screening compound: 4,4,6-trimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane

3690-0152 Screening compound: 4,4,6-trimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane
3690-0152 Screening compound: 4,4,6-trimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane alternative view

Chemical Structure Depiction of ChemDiv screening compound 3690-0152
4,4,6-trimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3690-0152

Molecular Formula

C16H28O2 (C16 H28 O2)

Compound Name

4,4,6-trimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane

IUPAC name

446-trimethyl-2-(246-trimethylcyclohex-3-en-1-yl)-13-dioxane

SMILES

CC(CC(C)=CC1C)C1C1OC(C)(C)CC(C)O1

InChI

InChI=1S/C16H28O2/c1-10-7-11(2)14(12(3)8-10)15-17-13(4)9-16(5,6)18-15/h7,11-15H,8-9H2,1-6H3

InChI Key

LLZPBVFDZAVNIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01117727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.132

Distribution Coefficient, logD

4.132

Water Solubility, LogSw

-4.03

Polar Surface Area

14.471

Acid Dissociation Constant (pKa)

26.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

87.50

References: we are preparing a list of scientific research reports with 3690-0152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3690-0152?
Check Price and Availability of 3690-0152, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3690-0152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3690-0152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3690-0152
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3690-0152 available by request