3,5-dihydroxydecanoic acid

C10H20O4 — CID 44715204

IUPAC3,5-dihydroxydecanoic acid
SMILESCCCCCC(O)CC(O)CC(=O)O
InChIInChI=1S/C10H20O4/c1-2-3-4-5-8(11)6-9(12)7-10(13)14/h8-9,11-12H,2-7H2,1H3,(H,13,14)
InChIKeyWQZRAWSNEARGPQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.15
Rot. Bonds8

About 3,5-dihydroxydecanoic acid

3,5-dihydroxydecanoic acid (PubChem CID 44715204) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3,5-dihydroxydecanoic acid.

Molecular Properties

Compound Name3,5-dihydroxydecanoic acid
PubChem CID44715204
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name3,5-dihydroxydecanoic acid
SMILESCCCCCC(O)CC(O)CC(=O)O
InChIInChI=1S/C10H20O4/c1-2-3-4-5-8(11)6-9(12)7-10(13)14/h8-9,11-12H,2-7H2,1H3,(H,13,14)
InChIKeyWQZRAWSNEARGPQ-UHFFFAOYSA-N
XLogP1.15
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 3,5-dihydroxydecanoic acid?
The IUPAC name of 3,5-dihydroxydecanoic acid (CID 44715204) is 3,5-dihydroxydecanoic acid.
What is the SMILES notation for 3,5-dihydroxydecanoic acid?
The canonical SMILES for 3,5-dihydroxydecanoic acid is CCCCCC(O)CC(O)CC(=O)O.
What is the InChIKey of 3,5-dihydroxydecanoic acid?
The InChIKey is WQZRAWSNEARGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-2-3-4-5-8(11)6-9(12)7-10(13)14/h8-9,11-12H,2-7H2,1H3,(H,13,14).
What are the key properties of 3,5-dihydroxydecanoic acid?
3,5-dihydroxydecanoic acid has a molecular weight of 204.27 g/mol, XLogP of 1.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxydecanoic acid is sourced from PubChem (CID 44715204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).