2-[5-hydroxy-2-(3-hydroxyoctyl)cyclopent-2-en-1-yl]acetic acid

C15H26O4 — CID 19836140

IUPAC2-[5-hydroxy-2-(3-hydroxyoctyl)cyclopent-2-en-1-yl]acetic acid
SMILESCCCCCC(O)CCC1=CCC(O)C1CC(=O)O
InChIInChI=1S/C15H26O4/c1-2-3-4-5-12(16)8-6-11-7-9-14(17)13(11)10-15(18)19/h7,12-14,16-17H,2-6,8-10H2,1H3,(H,18,19)
InChIKeyZBPTWFJKFNYETC-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.49
Rot. Bonds9

About 2-[5-hydroxy-2-(3-hydroxyoctyl)cyclopent-2-en-1-yl]acetic acid

2-[5-hydroxy-2-(3-hydroxyoctyl)cyclopent-2-en-1-yl]acetic acid (PubChem CID 19836140) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[5-hydroxy-2-(3-hydroxyoctyl)cyclopent-2-en-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-hydroxy-2-(3-hydroxyoctyl)cyclopent-2-en-1-yl]acetic acid
PubChem CID19836140
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name2-[5-hydroxy-2-(3-hydroxyoctyl)cyclopent-2-en-1-yl]acetic acid
SMILESCCCCCC(O)CCC1=CCC(O)C1CC(=O)O
InChIInChI=1S/C15H26O4/c1-2-3-4-5-12(16)8-6-11-7-9-14(17)13(11)10-15(18)19/h7,12-14,16-17H,2-6,8-10H2,1H3,(H,18,19)
InChIKeyZBPTWFJKFNYETC-UHFFFAOYSA-N
XLogP2.49
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-[5-hydroxy-2-(3-hydroxyoctyl)cyclopent-2-en-1-yl]acetic acid?
The IUPAC name of 2-[5-hydroxy-2-(3-hydroxyoctyl)cyclopent-2-en-1-yl]acetic acid (CID 19836140) is 2-[5-hydroxy-2-(3-hydroxyoctyl)cyclopent-2-en-1-yl]acetic acid.
What is the SMILES notation for 2-[5-hydroxy-2-(3-hydroxyoctyl)cyclopent-2-en-1-yl]acetic acid?
The canonical SMILES for 2-[5-hydroxy-2-(3-hydroxyoctyl)cyclopent-2-en-1-yl]acetic acid is CCCCCC(O)CCC1=CCC(O)C1CC(=O)O.
What is the InChIKey of 2-[5-hydroxy-2-(3-hydroxyoctyl)cyclopent-2-en-1-yl]acetic acid?
The InChIKey is ZBPTWFJKFNYETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-2-3-4-5-12(16)8-6-11-7-9-14(17)13(11)10-15(18)19/h7,12-14,16-17H,2-6,8-10H2,1H3,(H,18,19).
What are the key properties of 2-[5-hydroxy-2-(3-hydroxyoctyl)cyclopent-2-en-1-yl]acetic acid?
2-[5-hydroxy-2-(3-hydroxyoctyl)cyclopent-2-en-1-yl]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 2.49, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxy-2-(3-hydroxyoctyl)cyclopent-2-en-1-yl]acetic acid is sourced from PubChem (CID 19836140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).