(6-methyl-2-oxo-6-bicyclo[3.2.0]heptanyl) acetate

C10H14O3 — CID 12617847

IUPAC(6-methyl-2-oxo-6-bicyclo[3.2.0]heptanyl) acetate
SMILESCC(=O)OC1(C)CC2C(=O)CCC21
InChIInChI=1S/C10H14O3/c1-6(11)13-10(2)5-7-8(10)3-4-9(7)12/h7-8H,3-5H2,1-2H3
InChIKeyNQVMRZMPAOSMBR-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.31
Rot. Bonds1

About (6-methyl-2-oxo-6-bicyclo[3.2.0]heptanyl) acetate

(6-methyl-2-oxo-6-bicyclo[3.2.0]heptanyl) acetate (PubChem CID 12617847) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (6-methyl-2-oxo-6-bicyclo[3.2.0]heptanyl) acetate.

Molecular Properties

Compound Name(6-methyl-2-oxo-6-bicyclo[3.2.0]heptanyl) acetate
PubChem CID12617847
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(6-methyl-2-oxo-6-bicyclo[3.2.0]heptanyl) acetate
SMILESCC(=O)OC1(C)CC2C(=O)CCC21
InChIInChI=1S/C10H14O3/c1-6(11)13-10(2)5-7-8(10)3-4-9(7)12/h7-8H,3-5H2,1-2H3
InChIKeyNQVMRZMPAOSMBR-UHFFFAOYSA-N
XLogP1.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6-methyl-2-oxo-6-bicyclo[3.2.0]heptanyl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-oxo-6-bicyclo[3.2.0]heptanyl) acetate?
The IUPAC name of (6-methyl-2-oxo-6-bicyclo[3.2.0]heptanyl) acetate (CID 12617847) is (6-methyl-2-oxo-6-bicyclo[3.2.0]heptanyl) acetate.
What is the SMILES notation for (6-methyl-2-oxo-6-bicyclo[3.2.0]heptanyl) acetate?
The canonical SMILES for (6-methyl-2-oxo-6-bicyclo[3.2.0]heptanyl) acetate is CC(=O)OC1(C)CC2C(=O)CCC21.
What is the InChIKey of (6-methyl-2-oxo-6-bicyclo[3.2.0]heptanyl) acetate?
The InChIKey is NQVMRZMPAOSMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-6(11)13-10(2)5-7-8(10)3-4-9(7)12/h7-8H,3-5H2,1-2H3.
What are the key properties of (6-methyl-2-oxo-6-bicyclo[3.2.0]heptanyl) acetate?
(6-methyl-2-oxo-6-bicyclo[3.2.0]heptanyl) acetate has a molecular weight of 182.22 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-oxo-6-bicyclo[3.2.0]heptanyl) acetate is sourced from PubChem (CID 12617847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).