1-cyclohexyl-5-methylhex-4-en-3-one

C13H22O — CID 115780649

IUPAC1-cyclohexyl-5-methylhex-4-en-3-one
SMILESCC(C)=CC(=O)CCC1CCCCC1
InChIInChI=1S/C13H22O/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h10,12H,3-9H2,1-2H3
InChIKeyPAAPDLDXWSXSQA-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.88
Rot. Bonds4

About 1-cyclohexyl-5-methylhex-4-en-3-one

1-cyclohexyl-5-methylhex-4-en-3-one (PubChem CID 115780649) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-cyclohexyl-5-methylhex-4-en-3-one.

Molecular Properties

Compound Name1-cyclohexyl-5-methylhex-4-en-3-one
PubChem CID115780649
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-cyclohexyl-5-methylhex-4-en-3-one
SMILESCC(C)=CC(=O)CCC1CCCCC1
InChIInChI=1S/C13H22O/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h10,12H,3-9H2,1-2H3
InChIKeyPAAPDLDXWSXSQA-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.88
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

(Z)-5-amino-1-cyclobutylhex-4-en-3-one
CID 57438904
4-cyclohexyl-2-oxobutanamide
CID 69253318
acetyl 3-cyclohexylpropanoate
CID 175292524
3-cycloheptyl-1-cyclopropylpropan-1-one
CID 82923813
3-cyclohexylpropanoic acid;ethane;propane
CID 169257090
1-cyclohexylhexan-3-one
CID 10856142
3-cyclohexylpropanamide;ethane;methanamine
CID 178116013
3-cyclohexyl-1-(4,4-dimethylcyclohexyl)propan-1-one
CID 114191901
5-cyclopentylpentan-2-one
CID 18433881
3-cyclohexyl-N,N-di(propan-2-yl)propanamide
CID 4560477
methyl 4-cyclohexyl-2-oxobutanoate
CID 102124215
3-cyclopentyl-1-(1-methoxycycloheptyl)propan-1-one
CID 114191963

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-methylhex-4-en-3-one?
The IUPAC name of 1-cyclohexyl-5-methylhex-4-en-3-one (CID 115780649) is 1-cyclohexyl-5-methylhex-4-en-3-one.
What is the SMILES notation for 1-cyclohexyl-5-methylhex-4-en-3-one?
The canonical SMILES for 1-cyclohexyl-5-methylhex-4-en-3-one is CC(C)=CC(=O)CCC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-methylhex-4-en-3-one?
The InChIKey is PAAPDLDXWSXSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h10,12H,3-9H2,1-2H3.
What are the key properties of 1-cyclohexyl-5-methylhex-4-en-3-one?
1-cyclohexyl-5-methylhex-4-en-3-one has a molecular weight of 194.32 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-methylhex-4-en-3-one is sourced from PubChem (CID 115780649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).