3-methoxy-1-(4-methylidenecyclohexyl)propan-1-one

C11H18O2 — CID 59992626

IUPAC3-methoxy-1-(4-methylidenecyclohexyl)propan-1-one
SMILESC=C1CCC(C(=O)CCOC)CC1
InChIInChI=1S/C11H18O2/c1-9-3-5-10(6-4-9)11(12)7-8-13-2/h10H,1,3-8H2,2H3
InChIKeyQTPOAHKYTOACBB-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.34
Rot. Bonds4

About 3-methoxy-1-(4-methylidenecyclohexyl)propan-1-one

3-methoxy-1-(4-methylidenecyclohexyl)propan-1-one (PubChem CID 59992626) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-methoxy-1-(4-methylidenecyclohexyl)propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-(4-methylidenecyclohexyl)propan-1-one
PubChem CID59992626
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3-methoxy-1-(4-methylidenecyclohexyl)propan-1-one
SMILESC=C1CCC(C(=O)CCOC)CC1
InChIInChI=1S/C11H18O2/c1-9-3-5-10(6-4-9)11(12)7-8-13-2/h10H,1,3-8H2,2H3
InChIKeyQTPOAHKYTOACBB-UHFFFAOYSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl (2-methylidenecyclohexyl)acetate
CID 12679490
Methyl 5-methylidene-2-oxocyclohexane-1-carboxylate
CID 10866728
Ethyl 2-(4-methylenecyclohexyl)acetate
CID 11095257
(2S,3R,6R)-2-hex-5-enyl-3,6-dimethyloxan-4-one
CID 9794332
3-(3,4-dihydro-2H-pyran-5-yl)cyclohexanone
CID 12461795
3,5-Dimethyl-2-pentyl-2,3-dihydropyran-4-one
CID 13081492
2-Cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090573
Methyl 4,6-dimethyl-3-oxohept-6-enoate
CID 14289181
4-[(1S,2E)-2-(methoxymethylidene)cyclohexyl]butan-2-one
CID 14414123
(2S,3S)-3,5-dimethyl-2-pentyl-2,3-dihydropyran-4-one
CID 101240152
10-Hydroxydihydrocarvone
CID 129716292
3-(1-Ethoxyethenyl)cyclohexan-1-one
CID 130027305

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(4-methylidenecyclohexyl)propan-1-one?
The IUPAC name of 3-methoxy-1-(4-methylidenecyclohexyl)propan-1-one (CID 59992626) is 3-methoxy-1-(4-methylidenecyclohexyl)propan-1-one.
What is the SMILES notation for 3-methoxy-1-(4-methylidenecyclohexyl)propan-1-one?
The canonical SMILES for 3-methoxy-1-(4-methylidenecyclohexyl)propan-1-one is C=C1CCC(C(=O)CCOC)CC1.
What is the InChIKey of 3-methoxy-1-(4-methylidenecyclohexyl)propan-1-one?
The InChIKey is QTPOAHKYTOACBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9-3-5-10(6-4-9)11(12)7-8-13-2/h10H,1,3-8H2,2H3.
What are the key properties of 3-methoxy-1-(4-methylidenecyclohexyl)propan-1-one?
3-methoxy-1-(4-methylidenecyclohexyl)propan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(4-methylidenecyclohexyl)propan-1-one is sourced from PubChem (CID 59992626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).