7-(2-hydroxycyclopentyl)heptanoic acid

C12H22O3 — CID 3040252

IUPAC7-(2-hydroxycyclopentyl)heptanoic acid
SMILESO=C(O)CCCCCCC1CCCC1O
InChIInChI=1S/C12H22O3/c13-11-8-5-7-10(11)6-3-1-2-4-9-12(14)15/h10-11,13H,1-9H2,(H,14,15)
InChIKeyKYKNKXAQJTWHMC-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.57
Rot. Bonds7

About 7-(2-hydroxycyclopentyl)heptanoic acid

7-(2-hydroxycyclopentyl)heptanoic acid (PubChem CID 3040252) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 7-(2-hydroxycyclopentyl)heptanoic acid.

Molecular Properties

Compound Name7-(2-hydroxycyclopentyl)heptanoic acid
PubChem CID3040252
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name7-(2-hydroxycyclopentyl)heptanoic acid
SMILESO=C(O)CCCCCCC1CCCC1O
InChIInChI=1S/C12H22O3/c13-11-8-5-7-10(11)6-3-1-2-4-9-12(14)15/h10-11,13H,1-9H2,(H,14,15)
InChIKeyKYKNKXAQJTWHMC-UHFFFAOYSA-N
XLogP2.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxycyclopentyl)heptanoic acid?
The IUPAC name of 7-(2-hydroxycyclopentyl)heptanoic acid (CID 3040252) is 7-(2-hydroxycyclopentyl)heptanoic acid.
What is the SMILES notation for 7-(2-hydroxycyclopentyl)heptanoic acid?
The canonical SMILES for 7-(2-hydroxycyclopentyl)heptanoic acid is O=C(O)CCCCCCC1CCCC1O.
What is the InChIKey of 7-(2-hydroxycyclopentyl)heptanoic acid?
The InChIKey is KYKNKXAQJTWHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c13-11-8-5-7-10(11)6-3-1-2-4-9-12(14)15/h10-11,13H,1-9H2,(H,14,15).
What are the key properties of 7-(2-hydroxycyclopentyl)heptanoic acid?
7-(2-hydroxycyclopentyl)heptanoic acid has a molecular weight of 214.30 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxycyclopentyl)heptanoic acid is sourced from PubChem (CID 3040252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).