(4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate

C12H20O2 — CID 524251

IUPAC(4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate
SMILESCC(=O)OC1CC2(C(C)C)CC2C1C
InChIInChI=1S/C12H20O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7-8,10-11H,5-6H2,1-4H3
InChIKeyRYMWIDNPMDLHRP-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.62
Rot. Bonds2

About (4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate

(4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate (PubChem CID 524251) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate.

Molecular Properties

Compound Name(4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate
PubChem CID524251
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate
SMILESCC(=O)OC1CC2(C(C)C)CC2C1C
InChIInChI=1S/C12H20O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7-8,10-11H,5-6H2,1-4H3
InChIKeyRYMWIDNPMDLHRP-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) 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 (4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate?
The IUPAC name of (4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate (CID 524251) is (4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate.
What is the SMILES notation for (4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate?
The canonical SMILES for (4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate is CC(=O)OC1CC2(C(C)C)CC2C1C.
What is the InChIKey of (4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate?
The InChIKey is RYMWIDNPMDLHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7-8,10-11H,5-6H2,1-4H3.
What are the key properties of (4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate?
(4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate has a molecular weight of 196.29 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate is sourced from PubChem (CID 524251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).