Bicyclo(3.1.0)hexan-2-one, 5-(1-methylethyl)-
TL;DR: Bicyclo(3.1.0)hexan-2-one, 5-(1-methylethyl)- (CAS 513-20-2) is a chemical compound with molecular formula C9H14O and molecular weight 138.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-propan-2-ylbicyclo[3.1.0]hexan-2-one
Also Known As: Sabinaketone, Sabina ketone, Sabine ketone, 5-Isopropylbicyclo[3.1.0]hexan-2-one, 5-Isopropylbicyclo(3.1.0)hexan-2-one
| Molecular Formula | C9H14O |
|---|---|
| Molecular Weight | 138.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.10446 |
| Heavy Atoms | 10 |
| Complexity | 183.0 |
| Boiling Point | 218.00 to 219.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 513-20-2 |
|---|---|
| SMILES | CC(C)C12CCC(=O)C1C2 |
| InChIKey | MDDYCNAAAZKNAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bicyclo(3.1.0)hexan-2-one, 5-(1-methylethyl)- (CAS 513-20-2), with molecular formula C9H14O and molecular weight 138.10 g/mol. IUPAC: 5-propan-2-ylbicyclo[3.1.0]hexan-2-one.
Chemical Property Profile of Bicyclo(3.1.0)hexan-2-one, 5-(1-methylethyl)-
Property Insights of Bicyclo(3.1.0)hexan-2-one, 5-(1-methylethyl)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo(3.1.0)hexan-2-one, 5-(1-methylethyl)-. With a topological polar surface area (TPSA) of 17.1 Ų, Bicyclo(3.1.0)hexan-2-one, 5-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo(3.1.0)hexan-2-one, 5-(1-methylethyl)- 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 Bicyclo(3.1.0)hexan-2-one, 5-(1-methylethyl)-?
The CAS number of Bicyclo(3.1.0)hexan-2-one, 5-(1-methylethyl)- is 513-20-2.
What is the molecular formula of Bicyclo(3.1.0)hexan-2-one, 5-(1-methylethyl)-?
The molecular formula of Bicyclo(3.1.0)hexan-2-one, 5-(1-methylethyl)- is C9H14O.
What is the molecular weight of Bicyclo(3.1.0)hexan-2-one, 5-(1-methylethyl)-?
The molecular weight of Bicyclo(3.1.0)hexan-2-one, 5-(1-methylethyl)- is 138.10 g/mol.
Where can I buy Bicyclo(3.1.0)hexan-2-one, 5-(1-methylethyl)-?
You can request a quote for Bicyclo(3.1.0)hexan-2-one, 5-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo(3.1.0)hexan-2-one, 5-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo(3.1.0)hexan-2-one, 5-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.