Cyclohexanone, 3-isopropylidene-2,5,5-trimethyl-
TL;DR: Cyclohexanone, 3-isopropylidene-2,5,5-trimethyl- (CAS 38696-32-1) is a chemical compound with molecular formula C12H20O and molecular weight 180.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5,5-trimethyl-3-propan-2-ylidenecyclohexan-1-one
Also Known As: 2,5,5-trimethyl-3-1-cyclohexanone, 2,5,5-Trimethyl-3- -1-cyclohexanone, Cyclohexanone, 3-isopropylidene-2,5,5-trimethyl-, Cyclohexanone, 2,5,5-trimethyl-3-(1-methylethylidene)-, 2,5,5-trimethyl-3-propan-2-ylidenecyclohexan-1-one
| Molecular Formula | C12H20O |
|---|---|
| Molecular Weight | 180.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.15141 |
| Heavy Atoms | 13 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 38696-32-1 |
|---|---|
| SMILES | CC1C(=C(C)C)CC(CC1=O)(C)C |
| InChIKey | RFBHAUFEDARVON-UHFFFAOYSA-N |
Product Overview
Cyclohexanone, 3-isopropylidene-2,5,5-trimethyl- (CAS 38696-32-1), with molecular formula C12H20O and molecular weight 180.15 g/mol. IUPAC: 2,5,5-trimethyl-3-propan-2-ylidenecyclohexan-1-one.
Chemical Property Profile of Cyclohexanone, 3-isopropylidene-2,5,5-trimethyl-
Property Insights of Cyclohexanone, 3-isopropylidene-2,5,5-trimethyl-
The XLogP value of 3.0 indicates that Cyclohexanone, 3-isopropylidene-2,5,5-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Cyclohexanone, 3-isopropylidene-2,5,5-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanone, 3-isopropylidene-2,5,5-trimethyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclohexanone, 3-isopropylidene-2,5,5-trimethyl-?
The CAS number of Cyclohexanone, 3-isopropylidene-2,5,5-trimethyl- is 38696-32-1.
What is the molecular formula of Cyclohexanone, 3-isopropylidene-2,5,5-trimethyl-?
The molecular formula of Cyclohexanone, 3-isopropylidene-2,5,5-trimethyl- is C12H20O.
What is the molecular weight of Cyclohexanone, 3-isopropylidene-2,5,5-trimethyl-?
The molecular weight of Cyclohexanone, 3-isopropylidene-2,5,5-trimethyl- is 180.15 g/mol.
Where can I buy Cyclohexanone, 3-isopropylidene-2,5,5-trimethyl-?
You can request a quote for Cyclohexanone, 3-isopropylidene-2,5,5-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanone, 3-isopropylidene-2,5,5-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanone, 3-isopropylidene-2,5,5-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.