[(1S,6R)-6-acetyloxy-5-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl] acetate

C17H24O4 — CID 57026684

IUPAC[(1S,6R)-6-acetyloxy-5-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl] acetate
SMILESCC(=O)O[C@H]1C=CC=C(CC2CCCCC2)[C@H]1OC(C)=O
InChIInChI=1S/C17H24O4/c1-12(18)20-16-10-6-9-15(17(16)21-13(2)19)11-14-7-4-3-5-8-14/h6,9-10,14,16-17H,3-5,7-8,11H2,1-2H3/t16-,17+/m0/s1
InChIKeyOUFPIWKGTUOTQH-DLBZAZTESA-N
MW292.38 g/mol
LogP3.32
Rot. Bonds4

About [(1S,6R)-6-acetyloxy-5-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl] acetate

[(1S,6R)-6-acetyloxy-5-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl] acetate (PubChem CID 57026684) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is [(1S,6R)-6-acetyloxy-5-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl] acetate.

Molecular Properties

Compound Name[(1S,6R)-6-acetyloxy-5-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl] acetate
PubChem CID57026684
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name[(1S,6R)-6-acetyloxy-5-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl] acetate
SMILESCC(=O)O[C@H]1C=CC=C(CC2CCCCC2)[C@H]1OC(C)=O
InChIInChI=1S/C17H24O4/c1-12(18)20-16-10-6-9-15(17(16)21-13(2)19)11-14-7-4-3-5-8-14/h6,9-10,14,16-17H,3-5,7-8,11H2,1-2H3/t16-,17+/m0/s1
InChIKeyOUFPIWKGTUOTQH-DLBZAZTESA-N
XLogP3.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1S,6R)-6-acetyloxy-5-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl] 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 [(1S,6R)-6-acetyloxy-5-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl] acetate?
The IUPAC name of [(1S,6R)-6-acetyloxy-5-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl] acetate (CID 57026684) is [(1S,6R)-6-acetyloxy-5-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl] acetate.
What is the SMILES notation for [(1S,6R)-6-acetyloxy-5-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl] acetate?
The canonical SMILES for [(1S,6R)-6-acetyloxy-5-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl] acetate is CC(=O)O[C@H]1C=CC=C(CC2CCCCC2)[C@H]1OC(C)=O.
What is the InChIKey of [(1S,6R)-6-acetyloxy-5-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl] acetate?
The InChIKey is OUFPIWKGTUOTQH-DLBZAZTESA-N. The full InChI is InChI=1S/C17H24O4/c1-12(18)20-16-10-6-9-15(17(16)21-13(2)19)11-14-7-4-3-5-8-14/h6,9-10,14,16-17H,3-5,7-8,11H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of [(1S,6R)-6-acetyloxy-5-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl] acetate?
[(1S,6R)-6-acetyloxy-5-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl] acetate has a molecular weight of 292.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6R)-6-acetyloxy-5-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl] acetate is sourced from PubChem (CID 57026684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).