2-[(Z)-3-methylpent-2-enyl]cyclohexan-1-one

C12H20O — CID 11095228

IUPAC2-[(Z)-3-methylpent-2-enyl]cyclohexan-1-one
SMILESCC/C(C)=C\CC1CCCCC1=O
InChIInChI=1S/C12H20O/c1-3-10(2)8-9-11-6-4-5-7-12(11)13/h8,11H,3-7,9H2,1-2H3/b10-8-
InChIKeyKPKKLGCRAOBNMQ-NTMALXAHSA-N
MW180.29 g/mol
LogP3.49
Rot. Bonds3

About 2-[(Z)-3-methylpent-2-enyl]cyclohexan-1-one

2-[(Z)-3-methylpent-2-enyl]cyclohexan-1-one (PubChem CID 11095228) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-[(Z)-3-methylpent-2-enyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(Z)-3-methylpent-2-enyl]cyclohexan-1-one
PubChem CID11095228
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-[(Z)-3-methylpent-2-enyl]cyclohexan-1-one
SMILESCC/C(C)=C\CC1CCCCC1=O
InChIInChI=1S/C12H20O/c1-3-10(2)8-9-11-6-4-5-7-12(11)13/h8,11H,3-7,9H2,1-2H3/b10-8-
InChIKeyKPKKLGCRAOBNMQ-NTMALXAHSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-one
CID 12619393
2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-ol;2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one
CID 161413207
2-ethylcyclohexan-1-one;formic acid
CID 137364111
2-but-2-enylcyclohexan-1-one
CID 54275877
2-(3,7-dimethylnona-2,6-dienyl)cyclopentane-1,3-dione
CID 141279225
2-(4-hydroxypent-2-enyl)cyclohexan-1-one
CID 175419455
2-[(E)-3-ethoxyprop-2-enyl]cyclohexan-1-one
CID 13218023
2-(2-hydroxypropyl)cyclohexan-1-one
CID 15557851
2-[(E)-4-(2-oxocyclopentyl)but-2-enyl]cyclopentan-1-one
CID 166722235
(2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one
CID 915648
2-(2,3-dimethylbut-2-enyl)cyclododecan-1-one
CID 71182369
2-(2-methylprop-2-enyl)cyclotridecan-1-one
CID 164771739

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-methylpent-2-enyl]cyclohexan-1-one?
The IUPAC name of 2-[(Z)-3-methylpent-2-enyl]cyclohexan-1-one (CID 11095228) is 2-[(Z)-3-methylpent-2-enyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(Z)-3-methylpent-2-enyl]cyclohexan-1-one?
The canonical SMILES for 2-[(Z)-3-methylpent-2-enyl]cyclohexan-1-one is CC/C(C)=C\CC1CCCCC1=O.
What is the InChIKey of 2-[(Z)-3-methylpent-2-enyl]cyclohexan-1-one?
The InChIKey is KPKKLGCRAOBNMQ-NTMALXAHSA-N. The full InChI is InChI=1S/C12H20O/c1-3-10(2)8-9-11-6-4-5-7-12(11)13/h8,11H,3-7,9H2,1-2H3/b10-8-.
What are the key properties of 2-[(Z)-3-methylpent-2-enyl]cyclohexan-1-one?
2-[(Z)-3-methylpent-2-enyl]cyclohexan-1-one has a molecular weight of 180.29 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-methylpent-2-enyl]cyclohexan-1-one is sourced from PubChem (CID 11095228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).