1-cyclopentyl-2-octoxyethanone

C15H28O2 — CID 104751834

IUPAC1-cyclopentyl-2-octoxyethanone
SMILESCCCCCCCCOCC(=O)C1CCCC1
InChIInChI=1S/C15H28O2/c1-2-3-4-5-6-9-12-17-13-15(16)14-10-7-8-11-14/h14H,2-13H2,1H3
InChIKeyGTWZQKYTBWEGRB-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.12
Rot. Bonds10

About 1-cyclopentyl-2-octoxyethanone

1-cyclopentyl-2-octoxyethanone (PubChem CID 104751834) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-cyclopentyl-2-octoxyethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-octoxyethanone
PubChem CID104751834
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name1-cyclopentyl-2-octoxyethanone
SMILESCCCCCCCCOCC(=O)C1CCCC1
InChIInChI=1S/C15H28O2/c1-2-3-4-5-6-9-12-17-13-15(16)14-10-7-8-11-14/h14H,2-13H2,1H3
InChIKeyGTWZQKYTBWEGRB-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-2-[2-(3-methoxypropoxy)ethoxy]ethanone
CID 103178926
1-cyclohexyldecan-1-one
CID 63409715
nonyl cyclopentanecarboxylate
CID 575427
1-cyclobutyldodecan-1-one
CID 115811550
2-pentadecoxyacetic acid
CID 19866534
1-hexadecoxypropan-2-one
CID 15701879
2-tridecoxyacetamide
CID 54483018
2-nonadecoxyacetic acid
CID 91373626
2-octadecoxyacetic acid
CID 4147678
1-cyclohexyl-2-[2-(2-methylpropoxy)ethoxy]ethanone
CID 106448351
1-(4,4-dimethylcyclohexyl)-2-propoxyethanone
CID 79567432
1-cycloheptylpentan-1-one
CID 65399298

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-octoxyethanone?
The IUPAC name of 1-cyclopentyl-2-octoxyethanone (CID 104751834) is 1-cyclopentyl-2-octoxyethanone.
What is the SMILES notation for 1-cyclopentyl-2-octoxyethanone?
The canonical SMILES for 1-cyclopentyl-2-octoxyethanone is CCCCCCCCOCC(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-octoxyethanone?
The InChIKey is GTWZQKYTBWEGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-2-3-4-5-6-9-12-17-13-15(16)14-10-7-8-11-14/h14H,2-13H2,1H3.
What are the key properties of 1-cyclopentyl-2-octoxyethanone?
1-cyclopentyl-2-octoxyethanone has a molecular weight of 240.39 g/mol, XLogP of 4.12, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-octoxyethanone is sourced from PubChem (CID 104751834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).