2-methoxy-4-methylidenecyclohexan-1-one

C8H12O2 — CID 88988803

IUPAC2-methoxy-4-methylidenecyclohexan-1-one
SMILESC=C1CCC(=O)C(OC)C1
InChIInChI=1S/C8H12O2/c1-6-3-4-7(9)8(5-6)10-2/h8H,1,3-5H2,2H3
InChIKeyLPBXYLPQJSXHHL-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.31
Rot. Bonds1

About 2-methoxy-4-methylidenecyclohexan-1-one

2-methoxy-4-methylidenecyclohexan-1-one (PubChem CID 88988803) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-methoxy-4-methylidenecyclohexan-1-one.

Molecular Properties

Compound Name2-methoxy-4-methylidenecyclohexan-1-one
PubChem CID88988803
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-methoxy-4-methylidenecyclohexan-1-one
SMILESC=C1CCC(=O)C(OC)C1
InChIInChI=1S/C8H12O2/c1-6-3-4-7(9)8(5-6)10-2/h8H,1,3-5H2,2H3
InChIKeyLPBXYLPQJSXHHL-UHFFFAOYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.31
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

1-(5-methyl-3,4-dihydro-2H-pyran-2-yl)ethanone
CID 22212624
(5E)-2-ethoxy-5-(hydroxymethylidene)cyclohexan-1-one
CID 70538562
2-Ethoxy-5-(hydroxymethylidene)cyclohexan-1-one
CID 70538563
2-Methoxy-3-(oxomethylidene)cyclohexan-1-one
CID 88046094
2-Ethoxy-3-(oxomethylidene)cyclohexan-1-one
CID 88679096
4-(3-Methylbut-3-enoxy)cyclohexan-1-one
CID 114472654
1-(4-Methylidenecyclohexyl)oxypropan-2-one
CID 123644385
2-Ethoxy-6-methylidenecyclohexan-1-one
CID 153707372
1-Methoxy-5-methylhex-5-en-2-one
CID 62319632
1-Methoxy-5-methylideneheptan-2-one
CID 66043817
1-Ethoxy-4-methylidenehexan-2-one
CID 66043849
1-Methoxy-4-methylidenehexan-2-one
CID 66046474

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methylidenecyclohexan-1-one?
The IUPAC name of 2-methoxy-4-methylidenecyclohexan-1-one (CID 88988803) is 2-methoxy-4-methylidenecyclohexan-1-one.
What is the SMILES notation for 2-methoxy-4-methylidenecyclohexan-1-one?
The canonical SMILES for 2-methoxy-4-methylidenecyclohexan-1-one is C=C1CCC(=O)C(OC)C1.
What is the InChIKey of 2-methoxy-4-methylidenecyclohexan-1-one?
The InChIKey is LPBXYLPQJSXHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-3-4-7(9)8(5-6)10-2/h8H,1,3-5H2,2H3.
What are the key properties of 2-methoxy-4-methylidenecyclohexan-1-one?
2-methoxy-4-methylidenecyclohexan-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methylidenecyclohexan-1-one is sourced from PubChem (CID 88988803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).