(E)-1-cyclohexylhex-1-en-3-one

C12H20O — CID 14869895

IUPAC(E)-1-cyclohexylhex-1-en-3-one
SMILESCCCC(=O)/C=C/C1CCCCC1
InChIInChI=1S/C12H20O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h9-11H,2-8H2,1H3/b10-9+
InChIKeyAFKGEWBQCMCEET-MDZDMXLPSA-N
MW180.29 g/mol
LogP3.49
Rot. Bonds4

About (E)-1-cyclohexylhex-1-en-3-one

(E)-1-cyclohexylhex-1-en-3-one (PubChem CID 14869895) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (E)-1-cyclohexylhex-1-en-3-one.

Molecular Properties

Compound Name(E)-1-cyclohexylhex-1-en-3-one
PubChem CID14869895
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(E)-1-cyclohexylhex-1-en-3-one
SMILESCCCC(=O)/C=C/C1CCCCC1
InChIInChI=1S/C12H20O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h9-11H,2-8H2,1H3/b10-9+
InChIKeyAFKGEWBQCMCEET-MDZDMXLPSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

propyl (E)-3-cyclohexylprop-2-enoate
CID 10750409
(E)-1-cyclohexyl-5-methylhex-1-en-3-one
CID 11333035
propyl (E)-3-cyclopentylprop-2-enoate
CID 10679014
1-(oxan-4-yl)non-1-en-3-one
CID 57065591
ethyl 3-cyclobutylprop-2-enoate
CID 54090850
3-cyclohexylprop-2-enamide
CID 54292987
1-cyclopentyl-5-phenylpent-1-en-3-one;hydron
CID 174426915
6-cyclopropyl-4-oxohex-5-enal
CID 123628239
2-methylpropyl (E)-3-cycloheptylprop-2-enoate
CID 11629960
3-cyclohexyl-N-hydroxyprop-2-enamide
CID 71376620
methyl (E)-3-cyclobutylprop-2-enoate
CID 79872692
(E)-3-cyclobutyl-N-ethylprop-2-enamide
CID 131232424

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclohexylhex-1-en-3-one?
The IUPAC name of (E)-1-cyclohexylhex-1-en-3-one (CID 14869895) is (E)-1-cyclohexylhex-1-en-3-one.
What is the SMILES notation for (E)-1-cyclohexylhex-1-en-3-one?
The canonical SMILES for (E)-1-cyclohexylhex-1-en-3-one is CCCC(=O)/C=C/C1CCCCC1.
What is the InChIKey of (E)-1-cyclohexylhex-1-en-3-one?
The InChIKey is AFKGEWBQCMCEET-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H20O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h9-11H,2-8H2,1H3/b10-9+.
What are the key properties of (E)-1-cyclohexylhex-1-en-3-one?
(E)-1-cyclohexylhex-1-en-3-one has a molecular weight of 180.29 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexylhex-1-en-3-one is sourced from PubChem (CID 14869895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).