1-[(2E)-2-ethylidenecyclohexyl]propan-2-one

C11H18O — CID 15472619

IUPAC1-[(2E)-2-ethylidenecyclohexyl]propan-2-one
SMILESC/C=C1\CCCCC1CC(C)=O
InChIInChI=1S/C11H18O/c1-3-10-6-4-5-7-11(10)8-9(2)12/h3,11H,4-8H2,1-2H3/b10-3+
InChIKeyPQVDRUJAEJFXSJ-XCVCLJGOSA-N
MW166.26 g/mol
LogP3.10
Rot. Bonds2

About 1-[(2E)-2-ethylidenecyclohexyl]propan-2-one

1-[(2E)-2-ethylidenecyclohexyl]propan-2-one (PubChem CID 15472619) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-[(2E)-2-ethylidenecyclohexyl]propan-2-one.

Molecular Properties

Compound Name1-[(2E)-2-ethylidenecyclohexyl]propan-2-one
PubChem CID15472619
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-[(2E)-2-ethylidenecyclohexyl]propan-2-one
SMILESC/C=C1\CCCCC1CC(C)=O
InChIInChI=1S/C11H18O/c1-3-10-6-4-5-7-11(10)8-9(2)12/h3,11H,4-8H2,1-2H3/b10-3+
InChIKeyPQVDRUJAEJFXSJ-XCVCLJGOSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(2Z)-2-(methoxymethylidene)cyclohexyl]propan-2-one
CID 23238515
ethyl 2-[(1R,2Z)-2-ethylidenecyclohexyl]acetate
CID 177482165
2-ethylidenecyclohexane-1-carboxylic acid
CID 57189544
ethane;(2E)-1-ethyl-2-ethylidenecyclopentane
CID 91157114
(1E,2S)-1-ethylidene-2-methylcyclohexane
CID 148695286
1-cyclohexadecylpropan-2-one
CID 175123721
2-ethylcyclohexan-1-one;formic acid
CID 137364111
2-ethylidenecyclopentan-1-ol
CID 72740887
2-(2,3-dimethylbut-2-enyl)cyclododecan-1-one
CID 71182369
4-methyl-2-(2-oxopropyl)cyclohexan-1-one
CID 24974245
2-(2-oxopropyl)azepane-1-carbaldehyde
CID 13117688
2-(2-methylprop-2-enyl)cyclotridecan-1-one
CID 164771739

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-2-ethylidenecyclohexyl]propan-2-one?
The IUPAC name of 1-[(2E)-2-ethylidenecyclohexyl]propan-2-one (CID 15472619) is 1-[(2E)-2-ethylidenecyclohexyl]propan-2-one.
What is the SMILES notation for 1-[(2E)-2-ethylidenecyclohexyl]propan-2-one?
The canonical SMILES for 1-[(2E)-2-ethylidenecyclohexyl]propan-2-one is C/C=C1\CCCCC1CC(C)=O.
What is the InChIKey of 1-[(2E)-2-ethylidenecyclohexyl]propan-2-one?
The InChIKey is PQVDRUJAEJFXSJ-XCVCLJGOSA-N. The full InChI is InChI=1S/C11H18O/c1-3-10-6-4-5-7-11(10)8-9(2)12/h3,11H,4-8H2,1-2H3/b10-3+.
What are the key properties of 1-[(2E)-2-ethylidenecyclohexyl]propan-2-one?
1-[(2E)-2-ethylidenecyclohexyl]propan-2-one has a molecular weight of 166.26 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-2-ethylidenecyclohexyl]propan-2-one is sourced from PubChem (CID 15472619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).