5,6-dihydroxyoctadecanoic acid

C18H36O4 — CID 5282926

IUPAC5,6-dihydroxyoctadecanoic acid
SMILESCCCCCCCCCCCCC(O)C(O)CCCC(=O)O
InChIInChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(19)17(20)14-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
InChIKeyVAAGTTZMSIIGFU-UHFFFAOYSA-N
MW316.48 g/mol
LogP4.27
Rot. Bonds16

About 5,6-dihydroxyoctadecanoic acid

5,6-dihydroxyoctadecanoic acid (PubChem CID 5282926) has the molecular formula C18H36O4 and a molecular weight of 316.48 g/mol. Its IUPAC name is 5,6-dihydroxyoctadecanoic acid.

Molecular Properties

Compound Name5,6-dihydroxyoctadecanoic acid
PubChem CID5282926
Molecular FormulaC18H36O4
Molecular Weight316.48 g/mol
Exact Mass316.26
IUPAC Name5,6-dihydroxyoctadecanoic acid
SMILESCCCCCCCCCCCCC(O)C(O)CCCC(=O)O
InChIInChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(19)17(20)14-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
InChIKeyVAAGTTZMSIIGFU-UHFFFAOYSA-N
XLogP4.27
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.48
LogP ≤ 54.27
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

(7S,8S)-7,8-dihydroxytetradecanoic acid
CID 101332605
octanoic acid;tridecane-1,2,3-triol
CID 162007847
5-hydroxyhexadecanoic acid
CID 5312761
5-hydroxydecanoic acid
CID 161390265
(5S)-5-hydroxydecanoic acid
CID 6604110
7,8-dihydroxyhexadecanedioic acid
CID 14556981
(9S,10S)-9-chloro-10-hydroxyoctadecanoic acid
CID 122201337
10-chloro-9-hydroxyoctadecanoic acid
CID 3014115
(9R,10S)-10-chloro-9-hydroxyoctadecanoic acid
CID 121231139
12-hydroxyheptacosanoic acid
CID 169276954
20-hydroxyoctacosanoic acid
CID 169277392
decanedioic acid;tetradecane-1,1-diol
CID 175902897

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxyoctadecanoic acid?
The IUPAC name of 5,6-dihydroxyoctadecanoic acid (CID 5282926) is 5,6-dihydroxyoctadecanoic acid.
What is the SMILES notation for 5,6-dihydroxyoctadecanoic acid?
The canonical SMILES for 5,6-dihydroxyoctadecanoic acid is CCCCCCCCCCCCC(O)C(O)CCCC(=O)O.
What is the InChIKey of 5,6-dihydroxyoctadecanoic acid?
The InChIKey is VAAGTTZMSIIGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(19)17(20)14-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22).
What are the key properties of 5,6-dihydroxyoctadecanoic acid?
5,6-dihydroxyoctadecanoic acid has a molecular weight of 316.48 g/mol, XLogP of 4.27, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxyoctadecanoic acid is sourced from PubChem (CID 5282926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).