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

C17H30O — CID 59143609

IUPAC5-(2-cyclopentylethyl)-2,7-dimethyloct-7-en-4-one
SMILESC=C(C)CC(CCC1CCCC1)C(=O)CC(C)C
InChIInChI=1S/C17H30O/c1-13(2)11-16(17(18)12-14(3)4)10-9-15-7-5-6-8-15/h14-16H,1,5-12H2,2-4H3
InChIKeyKABRVUMPLLTNNF-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.15
Rot. Bonds8

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

5-(2-cyclopentylethyl)-2,7-dimethyloct-7-en-4-one (PubChem CID 59143609) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 5-(2-cyclopentylethyl)-2,7-dimethyloct-7-en-4-one.

Molecular Properties

Compound Name5-(2-cyclopentylethyl)-2,7-dimethyloct-7-en-4-one
PubChem CID59143609
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name5-(2-cyclopentylethyl)-2,7-dimethyloct-7-en-4-one
SMILESC=C(C)CC(CCC1CCCC1)C(=O)CC(C)C
InChIInChI=1S/C17H30O/c1-13(2)11-16(17(18)12-14(3)4)10-9-15-7-5-6-8-15/h14-16H,1,5-12H2,2-4H3
InChIKeyKABRVUMPLLTNNF-UHFFFAOYSA-N
XLogP5.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.15
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-cyclopentyl-6-methyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one
CID 59143680
3-(cyclobutylmethyl)-1-cyclopropyl-6-methylheptan-4-one
CID 59143537
2-(2-cyclopropylethyl)-N-ethyl-4-methylpent-4-enamide
CID 89093747
5-(cyclopentylmethyl)-2-methyloct-7-en-4-one
CID 59143489
2-(cyclobutylmethyl)-4-cyclopentyl-N-propan-2-ylbutanamide
CID 21366288
1-cyclohexyl-6-methylhept-6-en-3-ol
CID 115834468
5-(cyclopropylmethyl)-2-methyloctan-4-one
CID 59143682
1-[5-(3-methylbutyl)cyclononyl]prop-2-en-1-one
CID 91599650
3-(cyclopentylmethoxy)-2,2,6-trimethylheptan-4-one
CID 59143648
5-cyclohexyl-2-methylpent-1-en-3-amine
CID 105005114
2-(2-cyclopentylethyl)propanedioic acid
CID 23186368
2,4-dimethylpent-1-ene;2-(hydroxymethyl)cyclohexan-1-one
CID 143288514

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylethyl)-2,7-dimethyloct-7-en-4-one?
The IUPAC name of 5-(2-cyclopentylethyl)-2,7-dimethyloct-7-en-4-one (CID 59143609) is 5-(2-cyclopentylethyl)-2,7-dimethyloct-7-en-4-one.
What is the SMILES notation for 5-(2-cyclopentylethyl)-2,7-dimethyloct-7-en-4-one?
The canonical SMILES for 5-(2-cyclopentylethyl)-2,7-dimethyloct-7-en-4-one is C=C(C)CC(CCC1CCCC1)C(=O)CC(C)C.
What is the InChIKey of 5-(2-cyclopentylethyl)-2,7-dimethyloct-7-en-4-one?
The InChIKey is KABRVUMPLLTNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-13(2)11-16(17(18)12-14(3)4)10-9-15-7-5-6-8-15/h14-16H,1,5-12H2,2-4H3.
What are the key properties of 5-(2-cyclopentylethyl)-2,7-dimethyloct-7-en-4-one?
5-(2-cyclopentylethyl)-2,7-dimethyloct-7-en-4-one has a molecular weight of 250.43 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylethyl)-2,7-dimethyloct-7-en-4-one is sourced from PubChem (CID 59143609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).