5-(cyclopentylmethyl)-2-methyloct-7-en-4-one

C15H26O — CID 59143489

IUPAC5-(cyclopentylmethyl)-2-methyloct-7-en-4-one
SMILESC=CCC(CC1CCCC1)C(=O)CC(C)C
InChIInChI=1S/C15H26O/c1-4-7-14(15(16)10-12(2)3)11-13-8-5-6-9-13/h4,12-14H,1,5-11H2,2-3H3
InChIKeySLOYOCQJGUEXJT-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.37
Rot. Bonds7

About 5-(cyclopentylmethyl)-2-methyloct-7-en-4-one

5-(cyclopentylmethyl)-2-methyloct-7-en-4-one (PubChem CID 59143489) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-2-methyloct-7-en-4-one.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-2-methyloct-7-en-4-one
PubChem CID59143489
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name5-(cyclopentylmethyl)-2-methyloct-7-en-4-one
SMILESC=CCC(CC1CCCC1)C(=O)CC(C)C
InChIInChI=1S/C15H26O/c1-4-7-14(15(16)10-12(2)3)11-13-8-5-6-9-13/h4,12-14H,1,5-11H2,2-3H3
InChIKeySLOYOCQJGUEXJT-UHFFFAOYSA-N
XLogP4.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.37
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

5-(cyclopentylmethyl)-2,2-dimethyloct-7-en-4-one
CID 59143638
(E)-5-(cyclopropylmethyl)-2-methylnon-7-en-4-one
CID 59143625
1-cyclopentyl-5-methyl-2-prop-2-enoxyhexan-3-one
CID 59143577
3-(cyclobutylmethyl)-1-cyclopropyl-6-methylheptan-4-one
CID 59143537
dimethyl 2-(cyclohexylmethyl)-4-prop-2-enylpentanedioate
CID 11098495
N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide
CID 20790222
5-(cyclopropylmethyl)-2-methyloctan-4-one
CID 59143682
5-(2-cyclopentylethyl)-2,7-dimethyloct-7-en-4-one
CID 59143609
1-cyclopentyl-6-methyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one
CID 59143680
1-cyclohexylpent-4-en-2-ol
CID 13166988
3-amino-1-cyclohexylhex-5-en-2-one
CID 116606979
dipropan-2-yl 2-(cyclopentylmethyl)butanedioate
CID 143172660

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-2-methyloct-7-en-4-one?
The IUPAC name of 5-(cyclopentylmethyl)-2-methyloct-7-en-4-one (CID 59143489) is 5-(cyclopentylmethyl)-2-methyloct-7-en-4-one.
What is the SMILES notation for 5-(cyclopentylmethyl)-2-methyloct-7-en-4-one?
The canonical SMILES for 5-(cyclopentylmethyl)-2-methyloct-7-en-4-one is C=CCC(CC1CCCC1)C(=O)CC(C)C.
What is the InChIKey of 5-(cyclopentylmethyl)-2-methyloct-7-en-4-one?
The InChIKey is SLOYOCQJGUEXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-4-7-14(15(16)10-12(2)3)11-13-8-5-6-9-13/h4,12-14H,1,5-11H2,2-3H3.
What are the key properties of 5-(cyclopentylmethyl)-2-methyloct-7-en-4-one?
5-(cyclopentylmethyl)-2-methyloct-7-en-4-one has a molecular weight of 222.37 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-2-methyloct-7-en-4-one is sourced from PubChem (CID 59143489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).