1-(1-ethylcyclopentyl)oct-7-en-1-one

C15H26O — CID 107011252

IUPAC1-(1-ethylcyclopentyl)oct-7-en-1-one
SMILESC=CCCCCCC(=O)C1(CC)CCCC1
InChIInChI=1S/C15H26O/c1-3-5-6-7-8-11-14(16)15(4-2)12-9-10-13-15/h3H,1,4-13H2,2H3
InChIKeyZBSHDJBBMVTZNT-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.66
Rot. Bonds8

About 1-(1-ethylcyclopentyl)oct-7-en-1-one

1-(1-ethylcyclopentyl)oct-7-en-1-one (PubChem CID 107011252) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1-(1-ethylcyclopentyl)oct-7-en-1-one.

Molecular Properties

Compound Name1-(1-ethylcyclopentyl)oct-7-en-1-one
PubChem CID107011252
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1-(1-ethylcyclopentyl)oct-7-en-1-one
SMILESC=CCCCCCC(=O)C1(CC)CCCC1
InChIInChI=1S/C15H26O/c1-3-5-6-7-8-11-14(16)15(4-2)12-9-10-13-15/h3H,1,4-13H2,2H3
InChIKeyZBSHDJBBMVTZNT-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclopentyl)oct-7-en-1-one?
The IUPAC name of 1-(1-ethylcyclopentyl)oct-7-en-1-one (CID 107011252) is 1-(1-ethylcyclopentyl)oct-7-en-1-one.
What is the SMILES notation for 1-(1-ethylcyclopentyl)oct-7-en-1-one?
The canonical SMILES for 1-(1-ethylcyclopentyl)oct-7-en-1-one is C=CCCCCCC(=O)C1(CC)CCCC1.
What is the InChIKey of 1-(1-ethylcyclopentyl)oct-7-en-1-one?
The InChIKey is ZBSHDJBBMVTZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-3-5-6-7-8-11-14(16)15(4-2)12-9-10-13-15/h3H,1,4-13H2,2H3.
What are the key properties of 1-(1-ethylcyclopentyl)oct-7-en-1-one?
1-(1-ethylcyclopentyl)oct-7-en-1-one has a molecular weight of 222.37 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclopentyl)oct-7-en-1-one is sourced from PubChem (CID 107011252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).