2-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]acetaldehyde

C15H28O4 — CID 20510047

IUPAC2-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]acetaldehyde
SMILESCCCCCC(O)CCC1C(O)CC(O)C1CC=O
InChIInChI=1S/C15H28O4/c1-2-3-4-5-11(17)6-7-12-13(8-9-16)15(19)10-14(12)18/h9,11-15,17-19H,2-8,10H2,1H3
InChIKeyAQZORCDOABTBKW-UHFFFAOYSA-N
MW272.38 g/mol
LogP1.65
Rot. Bonds9

About 2-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]acetaldehyde

2-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]acetaldehyde (PubChem CID 20510047) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]acetaldehyde.

Molecular Properties

Compound Name2-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]acetaldehyde
PubChem CID20510047
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name2-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]acetaldehyde
SMILESCCCCCC(O)CCC1C(O)CC(O)C1CC=O
InChIInChI=1S/C15H28O4/c1-2-3-4-5-11(17)6-7-12-13(8-9-16)15(19)10-14(12)18/h9,11-15,17-19H,2-8,10H2,1H3
InChIKeyAQZORCDOABTBKW-UHFFFAOYSA-N
XLogP1.65
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]acetaldehyde?
The IUPAC name of 2-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]acetaldehyde (CID 20510047) is 2-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]acetaldehyde.
What is the SMILES notation for 2-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]acetaldehyde?
The canonical SMILES for 2-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]acetaldehyde is CCCCCC(O)CCC1C(O)CC(O)C1CC=O.
What is the InChIKey of 2-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]acetaldehyde?
The InChIKey is AQZORCDOABTBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-2-3-4-5-11(17)6-7-12-13(8-9-16)15(19)10-14(12)18/h9,11-15,17-19H,2-8,10H2,1H3.
What are the key properties of 2-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]acetaldehyde?
2-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]acetaldehyde has a molecular weight of 272.38 g/mol, XLogP of 1.65, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]acetaldehyde is sourced from PubChem (CID 20510047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).