1-(1-methoxy-4-methylidenecyclohexyl)ethanone

C10H16O2 — CID 90364768

IUPAC1-(1-methoxy-4-methylidenecyclohexyl)ethanone
SMILESC=C1CCC(OC)(C(C)=O)CC1
InChIInChI=1S/C10H16O2/c1-8-4-6-10(12-3,7-5-8)9(2)11/h1,4-7H2,2-3H3
InChIKeyZPORVDJZLOMLCV-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.09
Rot. Bonds2

About 1-(1-methoxy-4-methylidenecyclohexyl)ethanone

1-(1-methoxy-4-methylidenecyclohexyl)ethanone (PubChem CID 90364768) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(1-methoxy-4-methylidenecyclohexyl)ethanone.

Molecular Properties

Compound Name1-(1-methoxy-4-methylidenecyclohexyl)ethanone
PubChem CID90364768
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(1-methoxy-4-methylidenecyclohexyl)ethanone
SMILESC=C1CCC(OC)(C(C)=O)CC1
InChIInChI=1S/C10H16O2/c1-8-4-6-10(12-3,7-5-8)9(2)11/h1,4-7H2,2-3H3
InChIKeyZPORVDJZLOMLCV-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-methoxy-4-methylidenecyclohexyl)ethanone 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-(1-methoxy-4-methylidenecyclohexyl)ethanone?
The IUPAC name of 1-(1-methoxy-4-methylidenecyclohexyl)ethanone (CID 90364768) is 1-(1-methoxy-4-methylidenecyclohexyl)ethanone.
What is the SMILES notation for 1-(1-methoxy-4-methylidenecyclohexyl)ethanone?
The canonical SMILES for 1-(1-methoxy-4-methylidenecyclohexyl)ethanone is C=C1CCC(OC)(C(C)=O)CC1.
What is the InChIKey of 1-(1-methoxy-4-methylidenecyclohexyl)ethanone?
The InChIKey is ZPORVDJZLOMLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-4-6-10(12-3,7-5-8)9(2)11/h1,4-7H2,2-3H3.
What are the key properties of 1-(1-methoxy-4-methylidenecyclohexyl)ethanone?
1-(1-methoxy-4-methylidenecyclohexyl)ethanone has a molecular weight of 168.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4-methylidenecyclohexyl)ethanone is sourced from PubChem (CID 90364768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).