1-[(4R)-4-methylcyclohexen-1-yl]ethyl acetate

C11H18O2 — CID 155434997

IUPAC1-[(4R)-4-methylcyclohexen-1-yl]ethyl acetate
SMILESCC(=O)OC(C)C1=CC[C@H](C)CC1
InChIInChI=1S/C11H18O2/c1-8-4-6-11(7-5-8)9(2)13-10(3)12/h6,8-9H,4-5,7H2,1-3H3/t8-,9?/m0/s1
InChIKeyIHOFMSDPWTUQHJ-IENPIDJESA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds2

About 1-[(4R)-4-methylcyclohexen-1-yl]ethyl acetate

1-[(4R)-4-methylcyclohexen-1-yl]ethyl acetate (PubChem CID 155434997) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-[(4R)-4-methylcyclohexen-1-yl]ethyl acetate.

Molecular Properties

Compound Name1-[(4R)-4-methylcyclohexen-1-yl]ethyl acetate
PubChem CID155434997
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-[(4R)-4-methylcyclohexen-1-yl]ethyl acetate
SMILESCC(=O)OC(C)C1=CC[C@H](C)CC1
InChIInChI=1S/C11H18O2/c1-8-4-6-11(7-5-8)9(2)13-10(3)12/h6,8-9H,4-5,7H2,1-3H3/t8-,9?/m0/s1
InChIKeyIHOFMSDPWTUQHJ-IENPIDJESA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(4R)-4-methylcyclohexen-1-yl]ethyl 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 1-[(4R)-4-methylcyclohexen-1-yl]ethyl acetate?
The IUPAC name of 1-[(4R)-4-methylcyclohexen-1-yl]ethyl acetate (CID 155434997) is 1-[(4R)-4-methylcyclohexen-1-yl]ethyl acetate.
What is the SMILES notation for 1-[(4R)-4-methylcyclohexen-1-yl]ethyl acetate?
The canonical SMILES for 1-[(4R)-4-methylcyclohexen-1-yl]ethyl acetate is CC(=O)OC(C)C1=CC[C@H](C)CC1.
What is the InChIKey of 1-[(4R)-4-methylcyclohexen-1-yl]ethyl acetate?
The InChIKey is IHOFMSDPWTUQHJ-IENPIDJESA-N. The full InChI is InChI=1S/C11H18O2/c1-8-4-6-11(7-5-8)9(2)13-10(3)12/h6,8-9H,4-5,7H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of 1-[(4R)-4-methylcyclohexen-1-yl]ethyl acetate?
1-[(4R)-4-methylcyclohexen-1-yl]ethyl acetate has a molecular weight of 182.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-methylcyclohexen-1-yl]ethyl acetate is sourced from PubChem (CID 155434997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).