3-hydroxytetradecanedioic acid

C14H26O5 — CID 20848956

IUPAC3-hydroxytetradecanedioic acid
SMILESO=C(O)CCCCCCCCCCC(O)CC(=O)O
InChIInChI=1S/C14H26O5/c15-12(11-14(18)19)9-7-5-3-1-2-4-6-8-10-13(16)17/h12,15H,1-11H2,(H,16,17)(H,18,19)
InChIKeyCEDZIURHISELSQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.81
Rot. Bonds13

About 3-hydroxytetradecanedioic acid

3-hydroxytetradecanedioic acid (PubChem CID 20848956) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-hydroxytetradecanedioic acid.

Molecular Properties

Compound Name3-hydroxytetradecanedioic acid
PubChem CID20848956
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Name3-hydroxytetradecanedioic acid
SMILESO=C(O)CCCCCCCCCCC(O)CC(=O)O
InChIInChI=1S/C14H26O5/c15-12(11-14(18)19)9-7-5-3-1-2-4-6-8-10-13(16)17/h12,15H,1-11H2,(H,16,17)(H,18,19)
InChIKeyCEDZIURHISELSQ-UHFFFAOYSA-N
XLogP2.81
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.81
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-hydroxytetradecanedioic acid?
The IUPAC name of 3-hydroxytetradecanedioic acid (CID 20848956) is 3-hydroxytetradecanedioic acid.
What is the SMILES notation for 3-hydroxytetradecanedioic acid?
The canonical SMILES for 3-hydroxytetradecanedioic acid is O=C(O)CCCCCCCCCCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxytetradecanedioic acid?
The InChIKey is CEDZIURHISELSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5/c15-12(11-14(18)19)9-7-5-3-1-2-4-6-8-10-13(16)17/h12,15H,1-11H2,(H,16,17)(H,18,19).
What are the key properties of 3-hydroxytetradecanedioic acid?
3-hydroxytetradecanedioic acid has a molecular weight of 274.36 g/mol, XLogP of 2.81, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxytetradecanedioic acid is sourced from PubChem (CID 20848956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).