2-heptylcyclopentan-1-one;2-(2-pentylcyclopentyl)acetic acid

C24H44O3 — CID 18690762

IUPAC2-heptylcyclopentan-1-one;2-(2-pentylcyclopentyl)acetic acid
SMILESCCCCCC1CCCC1CC(=O)O.CCCCCCCC1CCCC1=O
InChIInChI=1S/C12H22O2.C12H22O/c1-2-3-4-6-10-7-5-8-11(10)9-12(13)14;1-2-3-4-5-6-8-11-9-7-10-12(11)13/h10-11H,2-9H2,1H3,(H,13,14);11H,2-10H2,1H3
InChIKeyPAIHOCXJZTZMRW-UHFFFAOYSA-N
MW380.61 g/mol
LogP7.17
Rot. Bonds12

About 2-heptylcyclopentan-1-one;2-(2-pentylcyclopentyl)acetic acid

2-heptylcyclopentan-1-one;2-(2-pentylcyclopentyl)acetic acid (PubChem CID 18690762) has the molecular formula C24H44O3 and a molecular weight of 380.61 g/mol. Its IUPAC name is 2-heptylcyclopentan-1-one;2-(2-pentylcyclopentyl)acetic acid.

Molecular Properties

Compound Name2-heptylcyclopentan-1-one;2-(2-pentylcyclopentyl)acetic acid
PubChem CID18690762
Molecular FormulaC24H44O3
Molecular Weight380.61 g/mol
Exact Mass380.33
IUPAC Name2-heptylcyclopentan-1-one;2-(2-pentylcyclopentyl)acetic acid
SMILESCCCCCC1CCCC1CC(=O)O.CCCCCCCC1CCCC1=O
InChIInChI=1S/C12H22O2.C12H22O/c1-2-3-4-6-10-7-5-8-11(10)9-12(13)14;1-2-3-4-5-6-8-11-9-7-10-12(11)13/h10-11H,2-9H2,1H3,(H,13,14);11H,2-10H2,1H3
InChIKeyPAIHOCXJZTZMRW-UHFFFAOYSA-N
XLogP7.17
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.61
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-heptylcyclopentan-1-one;2-(2-pentylcyclopentyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-decylcyclopentan-1-one
CID 12823821
2-nonylcyclododecan-1-one
CID 14296722
(2R)-2-pentylcyclohexan-1-one
CID 86310435
formic acid;2-pentylcyclohexan-1-one
CID 174877274
carbon monoxide;cobalt;2-hexylcyclohexan-1-one
CID 134877528
3-(2-octylcyclopentyl)propanoic acid
CID 57357948
2-butylcyclopentan-1-one;methanamine
CID 174247706
2-butylcyclopentan-1-one;N,N-dimethylmethanamine
CID 145289923
1-octyl-2-pentylcyclopentane
CID 170668279
1-heptyl-2-pentylcyclopentane
CID 102061725
1,2-diheptylcyclopentane
CID 102061720
2-[(1R,2R)-2-hexylcyclopropyl]acetic acid
CID 91607184

Frequently Asked Questions

What is the IUPAC name of 2-heptylcyclopentan-1-one;2-(2-pentylcyclopentyl)acetic acid?
The IUPAC name of 2-heptylcyclopentan-1-one;2-(2-pentylcyclopentyl)acetic acid (CID 18690762) is 2-heptylcyclopentan-1-one;2-(2-pentylcyclopentyl)acetic acid.
What is the SMILES notation for 2-heptylcyclopentan-1-one;2-(2-pentylcyclopentyl)acetic acid?
The canonical SMILES for 2-heptylcyclopentan-1-one;2-(2-pentylcyclopentyl)acetic acid is CCCCCC1CCCC1CC(=O)O.CCCCCCCC1CCCC1=O.
What is the InChIKey of 2-heptylcyclopentan-1-one;2-(2-pentylcyclopentyl)acetic acid?
The InChIKey is PAIHOCXJZTZMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2.C12H22O/c1-2-3-4-6-10-7-5-8-11(10)9-12(13)14;1-2-3-4-5-6-8-11-9-7-10-12(11)13/h10-11H,2-9H2,1H3,(H,13,14);11H,2-10H2,1H3.
What are the key properties of 2-heptylcyclopentan-1-one;2-(2-pentylcyclopentyl)acetic acid?
2-heptylcyclopentan-1-one;2-(2-pentylcyclopentyl)acetic acid has a molecular weight of 380.61 g/mol, XLogP of 7.17, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptylcyclopentan-1-one;2-(2-pentylcyclopentyl)acetic acid is sourced from PubChem (CID 18690762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).