(7S,8S)-7,8-dihydroxytetradecanoic acid

C14H28O4 — CID 101332605

IUPAC(7S,8S)-7,8-dihydroxytetradecanoic acid
SMILESCCCCCC[C@H](O)[C@@H](O)CCCCCC(=O)O
InChIInChI=1S/C14H28O4/c1-2-3-4-6-9-12(15)13(16)10-7-5-8-11-14(17)18/h12-13,15-16H,2-11H2,1H3,(H,17,18)/t12-,13-/m0/s1
InChIKeyCQAMMCGXJMRQFC-STQMWFEESA-N
MW260.37 g/mol
LogP2.71
Rot. Bonds12

About (7S,8S)-7,8-dihydroxytetradecanoic acid

(7S,8S)-7,8-dihydroxytetradecanoic acid (PubChem CID 101332605) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is (7S,8S)-7,8-dihydroxytetradecanoic acid.

Molecular Properties

Compound Name(7S,8S)-7,8-dihydroxytetradecanoic acid
PubChem CID101332605
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name(7S,8S)-7,8-dihydroxytetradecanoic acid
SMILESCCCCCC[C@H](O)[C@@H](O)CCCCCC(=O)O
InChIInChI=1S/C14H28O4/c1-2-3-4-6-9-12(15)13(16)10-7-5-8-11-14(17)18/h12-13,15-16H,2-11H2,1H3,(H,17,18)/t12-,13-/m0/s1
InChIKeyCQAMMCGXJMRQFC-STQMWFEESA-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

5,6-dihydroxyoctadecanoic acid
CID 5282926
octanoic acid;tridecane-1,2,3-triol
CID 162007847
7,8-dihydroxyhexadecanedioic acid
CID 14556981
dodecane-1,1-diol;bis(dodecanoic acid)
CID 121388000
13-hydroxyoctadecanoic acid
CID 5282911
21-hydroxyheptacosanoic acid
CID 169277079
(9R)-9-hydroxytetradecanoic acid
CID 22822871
dodecane-1,1-diol;hexanedioic acid
CID 160695318
14-hydroxypentacosanoic acid
CID 169276940
(19R,20R)-19,20-dihydroxydocosanoic acid
CID 131704445
hexane-1,1-diol;tetradecanedioic acid
CID 175798727
12-hydroxyheptadecanoic acid
CID 15110021

Frequently Asked Questions

What is the IUPAC name of (7S,8S)-7,8-dihydroxytetradecanoic acid?
The IUPAC name of (7S,8S)-7,8-dihydroxytetradecanoic acid (CID 101332605) is (7S,8S)-7,8-dihydroxytetradecanoic acid.
What is the SMILES notation for (7S,8S)-7,8-dihydroxytetradecanoic acid?
The canonical SMILES for (7S,8S)-7,8-dihydroxytetradecanoic acid is CCCCCC[C@H](O)[C@@H](O)CCCCCC(=O)O.
What is the InChIKey of (7S,8S)-7,8-dihydroxytetradecanoic acid?
The InChIKey is CQAMMCGXJMRQFC-STQMWFEESA-N. The full InChI is InChI=1S/C14H28O4/c1-2-3-4-6-9-12(15)13(16)10-7-5-8-11-14(17)18/h12-13,15-16H,2-11H2,1H3,(H,17,18)/t12-,13-/m0/s1.
What are the key properties of (7S,8S)-7,8-dihydroxytetradecanoic acid?
(7S,8S)-7,8-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 (7S,8S)-7,8-dihydroxytetradecanoic acid is sourced from PubChem (CID 101332605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).