2-(1-hydroxy-2-pentylcyclopentyl)acetic acid

C12H22O3 — CID 70818202

IUPAC2-(1-hydroxy-2-pentylcyclopentyl)acetic acid
SMILESCCCCCC1CCCC1(O)CC(=O)O
InChIInChI=1S/C12H22O3/c1-2-3-4-6-10-7-5-8-12(10,15)9-11(13)14/h10,15H,2-9H2,1H3,(H,13,14)
InChIKeyRFHCFRBYWNBBCE-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.57
Rot. Bonds6

About 2-(1-hydroxy-2-pentylcyclopentyl)acetic acid

2-(1-hydroxy-2-pentylcyclopentyl)acetic acid (PubChem CID 70818202) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-(1-hydroxy-2-pentylcyclopentyl)acetic acid.

Molecular Properties

Compound Name2-(1-hydroxy-2-pentylcyclopentyl)acetic acid
PubChem CID70818202
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-(1-hydroxy-2-pentylcyclopentyl)acetic acid
SMILESCCCCCC1CCCC1(O)CC(=O)O
InChIInChI=1S/C12H22O3/c1-2-3-4-6-10-7-5-8-12(10,15)9-11(13)14/h10,15H,2-9H2,1H3,(H,13,14)
InChIKeyRFHCFRBYWNBBCE-UHFFFAOYSA-N
XLogP2.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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 2-(1-hydroxy-2-pentylcyclopentyl)acetic acid?
The IUPAC name of 2-(1-hydroxy-2-pentylcyclopentyl)acetic acid (CID 70818202) is 2-(1-hydroxy-2-pentylcyclopentyl)acetic acid.
What is the SMILES notation for 2-(1-hydroxy-2-pentylcyclopentyl)acetic acid?
The canonical SMILES for 2-(1-hydroxy-2-pentylcyclopentyl)acetic acid is CCCCCC1CCCC1(O)CC(=O)O.
What is the InChIKey of 2-(1-hydroxy-2-pentylcyclopentyl)acetic acid?
The InChIKey is RFHCFRBYWNBBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-2-3-4-6-10-7-5-8-12(10,15)9-11(13)14/h10,15H,2-9H2,1H3,(H,13,14).
What are the key properties of 2-(1-hydroxy-2-pentylcyclopentyl)acetic acid?
2-(1-hydroxy-2-pentylcyclopentyl)acetic acid has a molecular weight of 214.30 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-pentylcyclopentyl)acetic acid is sourced from PubChem (CID 70818202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).