18,19-dihydroxynonadecanoic acid

C19H38O4 — CID 87167042

IUPAC18,19-dihydroxynonadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCC(O)CO
InChIInChI=1S/C19H38O4/c20-17-18(21)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-19(22)23/h18,20-21H,1-17H2,(H,22,23)
InChIKeyKOLGYDPTOBNWAL-UHFFFAOYSA-N
MW330.51 g/mol
LogP4.67
Rot. Bonds18

About 18,19-dihydroxynonadecanoic acid

18,19-dihydroxynonadecanoic acid (PubChem CID 87167042) has the molecular formula C19H38O4 and a molecular weight of 330.51 g/mol. Its IUPAC name is 18,19-dihydroxynonadecanoic acid.

Molecular Properties

Compound Name18,19-dihydroxynonadecanoic acid
PubChem CID87167042
Molecular FormulaC19H38O4
Molecular Weight330.51 g/mol
Exact Mass330.28
IUPAC Name18,19-dihydroxynonadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCC(O)CO
InChIInChI=1S/C19H38O4/c20-17-18(21)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-19(22)23/h18,20-21H,1-17H2,(H,22,23)
InChIKeyKOLGYDPTOBNWAL-UHFFFAOYSA-N
XLogP4.67
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 54.67
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

5,6-dihydroxyhexanoic acid
CID 15140307
(5S)-5,6-dihydroxyhexanoic acid
CID 88918822
decane-1,2-diol;decanoic acid
CID 174865520
decanedioic acid;hexakis(propane-1,2,3-triol)
CID 157296752
hexanedioic acid;hexane-1,1,5,6-tetrol
CID 19990329
5-hydroxytridecanedioic acid
CID 139805426
(9S)-9,18-dihydroxyoctadecanoic acid
CID 163000133
20,21-dihydroxyhenicosa-9,12-dienoic acid
CID 158956400
14-fluoro-13-hydroxytetradecanoic acid
CID 101029960
3-hydroxydodecanedioic acid
CID 16663321
3-hydroxyheptadecanedioic acid
CID 23052244
(Z)-20,21-dihydroxyhenicos-9-enoic acid;(Z)-octadec-9-enoic acid
CID 158902601

Frequently Asked Questions

What is the IUPAC name of 18,19-dihydroxynonadecanoic acid?
The IUPAC name of 18,19-dihydroxynonadecanoic acid (CID 87167042) is 18,19-dihydroxynonadecanoic acid.
What is the SMILES notation for 18,19-dihydroxynonadecanoic acid?
The canonical SMILES for 18,19-dihydroxynonadecanoic acid is O=C(O)CCCCCCCCCCCCCCCCC(O)CO.
What is the InChIKey of 18,19-dihydroxynonadecanoic acid?
The InChIKey is KOLGYDPTOBNWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O4/c20-17-18(21)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-19(22)23/h18,20-21H,1-17H2,(H,22,23).
What are the key properties of 18,19-dihydroxynonadecanoic acid?
18,19-dihydroxynonadecanoic acid has a molecular weight of 330.51 g/mol, XLogP of 4.67, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18,19-dihydroxynonadecanoic acid is sourced from PubChem (CID 87167042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).