3,13-dihydroxytetradecanoic acid

C14H28O4 — CID 146242796

IUPAC3,13-dihydroxytetradecanoic acid
SMILESCC(O)CCCCCCCCCC(O)CC(=O)O
InChIInChI=1S/C14H28O4/c1-12(15)9-7-5-3-2-4-6-8-10-13(16)11-14(17)18/h12-13,15-16H,2-11H2,1H3,(H,17,18)
InChIKeyBJMIBVYSUYJSQP-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.71
Rot. Bonds12

About 3,13-dihydroxytetradecanoic acid

3,13-dihydroxytetradecanoic acid (PubChem CID 146242796) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is 3,13-dihydroxytetradecanoic acid.

Molecular Properties

Compound Name3,13-dihydroxytetradecanoic acid
PubChem CID146242796
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name3,13-dihydroxytetradecanoic acid
SMILESCC(O)CCCCCCCCCC(O)CC(=O)O
InChIInChI=1S/C14H28O4/c1-12(15)9-7-5-3-2-4-6-8-10-13(16)11-14(17)18/h12-13,15-16H,2-11H2,1H3,(H,17,18)
InChIKeyBJMIBVYSUYJSQP-UHFFFAOYSA-N
XLogP2.71
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.71
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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Related Compounds

(3R,14R)-3,14-dihydroxypentadecanoic acid
CID 86289835
(3R,15S)-3,15-dihydroxyhexadecanoic acid
CID 100641841
3-hydroxyoctadecanoic acid
CID 158545826
3-hydroxytetracosanoic acid
CID 5312781
3-hydroxydodecanedioic acid
CID 16663321
3-hydroxyoctanoic acid
CID 159718411
3-hydroxyheptadecanedioic acid
CID 23052244
9-amino-3-hydroxyundecanoic acid
CID 175426923
20-hydroxyhenicosanoic acid
CID 19591814
3-hydroxyoctanedioic acid
CID 22328017
19-hydroxyicosanoic acid
CID 14535566
3-hydroxybutanoic acid;3-hydroxydecanoic acid;3-hydroxydodecanoic acid;3-hydroxyheptanoic acid;3-hydroxyhexanoic acid;3-hydroxynonanoic acid;3-hydroxyoctanoic acid;3-hydroxypentanoic acid;3-hydroxyundecanoic acid
CID 173057054

Frequently Asked Questions

What is the IUPAC name of 3,13-dihydroxytetradecanoic acid?
The IUPAC name of 3,13-dihydroxytetradecanoic acid (CID 146242796) is 3,13-dihydroxytetradecanoic acid.
What is the SMILES notation for 3,13-dihydroxytetradecanoic acid?
The canonical SMILES for 3,13-dihydroxytetradecanoic acid is CC(O)CCCCCCCCCC(O)CC(=O)O.
What is the InChIKey of 3,13-dihydroxytetradecanoic acid?
The InChIKey is BJMIBVYSUYJSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4/c1-12(15)9-7-5-3-2-4-6-8-10-13(16)11-14(17)18/h12-13,15-16H,2-11H2,1H3,(H,17,18).
What are the key properties of 3,13-dihydroxytetradecanoic acid?
3,13-dihydroxytetradecanoic acid has a molecular weight of 260.37 g/mol, XLogP of 2.71, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,13-dihydroxytetradecanoic acid is sourced from PubChem (CID 146242796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).