3690-0727 Screening compound: 5,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane
Chemical Structure Depiction of ChemDiv screening compound 3690-0727
5,5-dimethyl-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
3690-0727
Molecular Formula
C15H26O2 (C15 H26 O2)
Compound Name
5,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane
IUPAC name
55-dimethyl-2-(246-trimethylcyclohex-3-en-1-yl)-13-dioxane
SMILES
CC(CC(C)=CC1C)C1C1OCC(C)(C)CO1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
238.37
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
3.719
Distribution Coefficient, logD
3.719
Water Solubility, LogSw
-3.88
Polar Surface Area
17.843
Acid Dissociation Constant (pKa)
25.92
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
3.00
Percent sp3 carbon bonding
86.70
References: we are preparing a list of scientific research reports with 3690-0727 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)