2-hexyl-3-hydroxydecanoic acid

C16H32O3 — CID 14620627

IUPAC2-hexyl-3-hydroxydecanoic acid
SMILESCCCCCCCC(O)C(CCCCCC)C(=O)O
InChIInChI=1S/C16H32O3/c1-3-5-7-9-11-13-15(17)14(16(18)19)12-10-8-6-4-2/h14-15,17H,3-13H2,1-2H3,(H,18,19)
InChIKeyMAJPNCZLAWPPTG-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.38
Rot. Bonds13

About 2-hexyl-3-hydroxydecanoic acid

2-hexyl-3-hydroxydecanoic acid (PubChem CID 14620627) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-hexyl-3-hydroxydecanoic acid.

Molecular Properties

Compound Name2-hexyl-3-hydroxydecanoic acid
PubChem CID14620627
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name2-hexyl-3-hydroxydecanoic acid
SMILESCCCCCCCC(O)C(CCCCCC)C(=O)O
InChIInChI=1S/C16H32O3/c1-3-5-7-9-11-13-15(17)14(16(18)19)12-10-8-6-4-2/h14-15,17H,3-13H2,1-2H3,(H,18,19)
InChIKeyMAJPNCZLAWPPTG-UHFFFAOYSA-N
XLogP4.38
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.38
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-hexyl-3-hydroxydecanoic acid?
The IUPAC name of 2-hexyl-3-hydroxydecanoic acid (CID 14620627) is 2-hexyl-3-hydroxydecanoic acid.
What is the SMILES notation for 2-hexyl-3-hydroxydecanoic acid?
The canonical SMILES for 2-hexyl-3-hydroxydecanoic acid is CCCCCCCC(O)C(CCCCCC)C(=O)O.
What is the InChIKey of 2-hexyl-3-hydroxydecanoic acid?
The InChIKey is MAJPNCZLAWPPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3/c1-3-5-7-9-11-13-15(17)14(16(18)19)12-10-8-6-4-2/h14-15,17H,3-13H2,1-2H3,(H,18,19).
What are the key properties of 2-hexyl-3-hydroxydecanoic acid?
2-hexyl-3-hydroxydecanoic acid has a molecular weight of 272.43 g/mol, XLogP of 4.38, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-3-hydroxydecanoic acid is sourced from PubChem (CID 14620627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).