1-[(2Z)-2-(methoxymethylidene)cyclohexyl]propan-2-one

C11H18O2 — CID 23238515

IUPAC1-[(2Z)-2-(methoxymethylidene)cyclohexyl]propan-2-one
SMILESCO/C=C1/CCCCC1CC(C)=O
InChIInChI=1S/C11H18O2/c1-9(12)7-10-5-3-4-6-11(10)8-13-2/h8,10H,3-7H2,1-2H3/b11-8-
InChIKeyKIPGXYXUDSLKRZ-FLIBITNWSA-N
MW182.26 g/mol
LogP2.69
Rot. Bonds3

About 1-[(2Z)-2-(methoxymethylidene)cyclohexyl]propan-2-one

1-[(2Z)-2-(methoxymethylidene)cyclohexyl]propan-2-one (PubChem CID 23238515) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-[(2Z)-2-(methoxymethylidene)cyclohexyl]propan-2-one.

Molecular Properties

Compound Name1-[(2Z)-2-(methoxymethylidene)cyclohexyl]propan-2-one
PubChem CID23238515
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-[(2Z)-2-(methoxymethylidene)cyclohexyl]propan-2-one
SMILESCO/C=C1/CCCCC1CC(C)=O
InChIInChI=1S/C11H18O2/c1-9(12)7-10-5-3-4-6-11(10)8-13-2/h8,10H,3-7H2,1-2H3/b11-8-
InChIKeyKIPGXYXUDSLKRZ-FLIBITNWSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-[(2E)-2-ethylidenecyclohexyl]propan-2-one
CID 15472619
3-[(1R,2Z)-2-(methoxymethylidene)cyclohexyl]propanenitrile
CID 10352267
ethyl 2-[(1R,2Z)-2-ethylidenecyclohexyl]acetate
CID 177482165
4-[(1S,2Z)-3-(2-hydroxyethyl)-2-(methoxymethylidene)cyclohexyl]butan-2-one
CID 134882177
1-cyclohexadecylpropan-2-one
CID 175123721
methyl 2-(2-prop-1-en-2-ylcyclohexylidene)acetate
CID 71335111
N-methoxy-N-methyl-2-[(1R)-2-methylidenecyclohexyl]acetamide
CID 135001013
methyl 2-acetamido-3-(2-oxocyclohexyl)propanoate
CID 59471171
2-ethylcyclohexan-1-one;formic acid
CID 137364111
2-[(1S)-2-oxocyclohexyl]ethyl acetate
CID 20637814
cyclohexanecarbaldehyde;cyclohexanone;methoxymethylidenecyclohexane
CID 160501729
4-methyl-2-(2-oxopropyl)cyclohexan-1-one
CID 24974245

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z)-2-(methoxymethylidene)cyclohexyl]propan-2-one?
The IUPAC name of 1-[(2Z)-2-(methoxymethylidene)cyclohexyl]propan-2-one (CID 23238515) is 1-[(2Z)-2-(methoxymethylidene)cyclohexyl]propan-2-one.
What is the SMILES notation for 1-[(2Z)-2-(methoxymethylidene)cyclohexyl]propan-2-one?
The canonical SMILES for 1-[(2Z)-2-(methoxymethylidene)cyclohexyl]propan-2-one is CO/C=C1/CCCCC1CC(C)=O.
What is the InChIKey of 1-[(2Z)-2-(methoxymethylidene)cyclohexyl]propan-2-one?
The InChIKey is KIPGXYXUDSLKRZ-FLIBITNWSA-N. The full InChI is InChI=1S/C11H18O2/c1-9(12)7-10-5-3-4-6-11(10)8-13-2/h8,10H,3-7H2,1-2H3/b11-8-.
What are the key properties of 1-[(2Z)-2-(methoxymethylidene)cyclohexyl]propan-2-one?
1-[(2Z)-2-(methoxymethylidene)cyclohexyl]propan-2-one has a molecular weight of 182.26 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-2-(methoxymethylidene)cyclohexyl]propan-2-one is sourced from PubChem (CID 23238515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).