5-(cyclopentylmethyl)-2,2-dimethyloct-7-en-4-one

C16H28O — CID 59143638

IUPAC5-(cyclopentylmethyl)-2,2-dimethyloct-7-en-4-one
SMILESC=CCC(CC1CCCC1)C(=O)CC(C)(C)C
InChIInChI=1S/C16H28O/c1-5-8-14(11-13-9-6-7-10-13)15(17)12-16(2,3)4/h5,13-14H,1,6-12H2,2-4H3
InChIKeyHHMOKYMRBAKZMS-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.76
Rot. Bonds6

About 5-(cyclopentylmethyl)-2,2-dimethyloct-7-en-4-one

5-(cyclopentylmethyl)-2,2-dimethyloct-7-en-4-one (PubChem CID 59143638) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-2,2-dimethyloct-7-en-4-one.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-2,2-dimethyloct-7-en-4-one
PubChem CID59143638
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name5-(cyclopentylmethyl)-2,2-dimethyloct-7-en-4-one
SMILESC=CCC(CC1CCCC1)C(=O)CC(C)(C)C
InChIInChI=1S/C16H28O/c1-5-8-14(11-13-9-6-7-10-13)15(17)12-16(2,3)4/h5,13-14H,1,6-12H2,2-4H3
InChIKeyHHMOKYMRBAKZMS-UHFFFAOYSA-N
XLogP4.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.76
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-methyloct-7-en-4-one
CID 59143489
2,2-dimethyl-5-[(2-methylcyclopropyl)methyl]oct-7-en-4-one
CID 59143593
N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide
CID 20790222
dimethyl 2-(cyclohexylmethyl)-4-prop-2-enylpentanedioate
CID 11098495
2-(cyclopentylmethoxy)-1-cyclopropyl-5,5-dimethylhexan-3-one
CID 59143519
5-(2-cyclopropylethyl)-2,2,7,7-tetramethyloctan-4-one
CID 59143481
2-(2,2-dimethylpropyl)-N-propan-2-ylpent-4-enamide
CID 21366384
1-cyclohexylpent-4-en-2-ol
CID 13166988
3-amino-1-cyclohexylhex-5-en-2-one
CID 116606979
1-cyclopropyl-6,6-dimethyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one
CID 59143511
2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid
CID 175070006
N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide;N-tert-butyl-2-propan-2-ylpentanamide;N,2-ditert-butylpentanamide
CID 161398995

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-2,2-dimethyloct-7-en-4-one?
The IUPAC name of 5-(cyclopentylmethyl)-2,2-dimethyloct-7-en-4-one (CID 59143638) is 5-(cyclopentylmethyl)-2,2-dimethyloct-7-en-4-one.
What is the SMILES notation for 5-(cyclopentylmethyl)-2,2-dimethyloct-7-en-4-one?
The canonical SMILES for 5-(cyclopentylmethyl)-2,2-dimethyloct-7-en-4-one is C=CCC(CC1CCCC1)C(=O)CC(C)(C)C.
What is the InChIKey of 5-(cyclopentylmethyl)-2,2-dimethyloct-7-en-4-one?
The InChIKey is HHMOKYMRBAKZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-5-8-14(11-13-9-6-7-10-13)15(17)12-16(2,3)4/h5,13-14H,1,6-12H2,2-4H3.
What are the key properties of 5-(cyclopentylmethyl)-2,2-dimethyloct-7-en-4-one?
5-(cyclopentylmethyl)-2,2-dimethyloct-7-en-4-one has a molecular weight of 236.40 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-2,2-dimethyloct-7-en-4-one is sourced from PubChem (CID 59143638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).