1-(cyclohexen-1-yl)-6-methylheptan-2-one

C14H24O — CID 116659759

IUPAC1-(cyclohexen-1-yl)-6-methylheptan-2-one
SMILESCC(C)CCCC(=O)CC1=CCCCC1
InChIInChI=1S/C14H24O/c1-12(2)7-6-10-14(15)11-13-8-4-3-5-9-13/h8,12H,3-7,9-11H2,1-2H3
InChIKeyPKGURQMFENKCIH-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.27
Rot. Bonds6

About 1-(cyclohexen-1-yl)-6-methylheptan-2-one

1-(cyclohexen-1-yl)-6-methylheptan-2-one (PubChem CID 116659759) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-6-methylheptan-2-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-6-methylheptan-2-one
PubChem CID116659759
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-(cyclohexen-1-yl)-6-methylheptan-2-one
SMILESCC(C)CCCC(=O)CC1=CCCCC1
InChIInChI=1S/C14H24O/c1-12(2)7-6-10-14(15)11-13-8-4-3-5-9-13/h8,12H,3-7,9-11H2,1-2H3
InChIKeyPKGURQMFENKCIH-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.27
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-(cyclohexen-1-yl)-3-hydroxypropan-2-one
CID 130030095
1-(cyclohexen-1-yl)-4-methylhexan-2-one
CID 116659650
1-(cyclohexen-1-yl)-4-methylheptan-2-one
CID 116659771
1-(cycloocten-1-yl)-3-methylbutan-2-one
CID 147027331
1-(cyclohexen-1-yl)-3-methylpentan-2-one
CID 116659851
1-(cyclohexen-1-yl)-3-cyclopropylpropan-2-one
CID 116659708
1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-one
CID 116659751
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
CID 110299684
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]propanoate
CID 63564809
methyl 2-(cyclohexen-1-yl)acetate
CID 11051874
(2S,3R)-2-[[2-(cyclohexen-1-yl)acetyl]amino]-3-hydroxybutanoic acid
CID 104964499
1-(cyclohepten-1-yl)-3-ethylheptan-2-one
CID 91557900

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-6-methylheptan-2-one?
The IUPAC name of 1-(cyclohexen-1-yl)-6-methylheptan-2-one (CID 116659759) is 1-(cyclohexen-1-yl)-6-methylheptan-2-one.
What is the SMILES notation for 1-(cyclohexen-1-yl)-6-methylheptan-2-one?
The canonical SMILES for 1-(cyclohexen-1-yl)-6-methylheptan-2-one is CC(C)CCCC(=O)CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-6-methylheptan-2-one?
The InChIKey is PKGURQMFENKCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-12(2)7-6-10-14(15)11-13-8-4-3-5-9-13/h8,12H,3-7,9-11H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-6-methylheptan-2-one?
1-(cyclohexen-1-yl)-6-methylheptan-2-one has a molecular weight of 208.34 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-6-methylheptan-2-one is sourced from PubChem (CID 116659759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).