(Z)-6-(cyclohexen-1-yl)hex-5-en-2-one

C12H18O — CID 15311444

IUPAC(Z)-6-(cyclohexen-1-yl)hex-5-en-2-one
SMILESCC(=O)CC/C=C\C1=CCCCC1
InChIInChI=1S/C12H18O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h6,8,10H,2-5,7,9H2,1H3/b10-6-
InChIKeyFGLJMQZCYIUWSI-POHAHGRESA-N
MW178.27 g/mol
LogP3.41
Rot. Bonds4

About (Z)-6-(cyclohexen-1-yl)hex-5-en-2-one

(Z)-6-(cyclohexen-1-yl)hex-5-en-2-one (PubChem CID 15311444) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is (Z)-6-(cyclohexen-1-yl)hex-5-en-2-one.

Molecular Properties

Compound Name(Z)-6-(cyclohexen-1-yl)hex-5-en-2-one
PubChem CID15311444
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name(Z)-6-(cyclohexen-1-yl)hex-5-en-2-one
SMILESCC(=O)CC/C=C\C1=CCCCC1
InChIInChI=1S/C12H18O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h6,8,10H,2-5,7,9H2,1H3/b10-6-
InChIKeyFGLJMQZCYIUWSI-POHAHGRESA-N
XLogP3.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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acetic acid;cyclohexene-1-carbaldehyde
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3-[(1E)-cycloocten-1-yl]prop-2-enoic acid
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methyl 3-(cyclohexen-1-yl)prop-2-enoate
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1-oct-1-enylcyclopentene
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[(E)-5-(cyclohexen-1-yl)pent-4-enyl]benzene
CID 140946016
4-(cyclopenten-1-yl)-1-hydroxybut-3-en-2-one
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1-[(Z)-prop-1-enyl]cycloheptene
CID 135080303
[(E)-2-(cyclohexen-1-yl)ethenyl]-methyl-propan-2-ylphosphane
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2-(cyclohexen-1-yl)-N,N-dimethylethenamine
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methyl 3-(cyclohexen-1-yl)-2-methylprop-2-enoate
CID 57076411

Frequently Asked Questions

What is the IUPAC name of (Z)-6-(cyclohexen-1-yl)hex-5-en-2-one?
The IUPAC name of (Z)-6-(cyclohexen-1-yl)hex-5-en-2-one (CID 15311444) is (Z)-6-(cyclohexen-1-yl)hex-5-en-2-one.
What is the SMILES notation for (Z)-6-(cyclohexen-1-yl)hex-5-en-2-one?
The canonical SMILES for (Z)-6-(cyclohexen-1-yl)hex-5-en-2-one is CC(=O)CC/C=C\C1=CCCCC1.
What is the InChIKey of (Z)-6-(cyclohexen-1-yl)hex-5-en-2-one?
The InChIKey is FGLJMQZCYIUWSI-POHAHGRESA-N. The full InChI is InChI=1S/C12H18O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h6,8,10H,2-5,7,9H2,1H3/b10-6-.
What are the key properties of (Z)-6-(cyclohexen-1-yl)hex-5-en-2-one?
(Z)-6-(cyclohexen-1-yl)hex-5-en-2-one has a molecular weight of 178.27 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(cyclohexen-1-yl)hex-5-en-2-one is sourced from PubChem (CID 15311444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).