5-hydroxyoctadecanoate

C18H35O3- — CID 126456525

IUPAC5-hydroxyoctadecanoate
SMILESCCCCCCCCCCCCCC(O)CCCC(=O)[O-]
InChIInChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/p-1
InChIKeyYTITYUDOZJUZBE-UHFFFAOYSA-M
MW299.48 g/mol
LogP3.97
Rot. Bonds16

About 5-hydroxyoctadecanoate

5-hydroxyoctadecanoate (PubChem CID 126456525) has the molecular formula C18H35O3- and a molecular weight of 299.48 g/mol. Its IUPAC name is 5-hydroxyoctadecanoate.

Molecular Properties

Compound Name5-hydroxyoctadecanoate
PubChem CID126456525
Molecular FormulaC18H35O3-
Molecular Weight299.48 g/mol
Exact Mass299.26
IUPAC Name5-hydroxyoctadecanoate
SMILESCCCCCCCCCCCCCC(O)CCCC(=O)[O-]
InChIInChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/p-1
InChIKeyYTITYUDOZJUZBE-UHFFFAOYSA-M
XLogP3.97
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

potassium 5-hydroxyhexadecanoate
CID 171774657
aluminum 12-hydroxyoctadecanoate
CID 21119248
sodium (12S)-12-hydroxyoctadecanoate
CID 76956600
CID 71432168
CID 71432168
8-hydroxydodecanoate
CID 155802527
potassium 15-hydroxyoctadecanoate
CID 101326197
sodium 15-hydroxyoctadecanoate
CID 101326210
(9S,10S)-9,10-dihydroxyoctadecanoate
CID 25201168
tris(9,10-dihydroxyoctadecanoate);(9S,10R)-9,10-dihydroxyoctadecanoate;osmium(4+);tetrakis(oxygen(2-))
CID 173309325
25-hydroxyhexatetracontan-21-one
CID 163029416
5-hydroxyhexadecanoic acid
CID 5312761
5-hydroxyoctadecanamide
CID 23176537

Frequently Asked Questions

What is the IUPAC name of 5-hydroxyoctadecanoate?
The IUPAC name of 5-hydroxyoctadecanoate (CID 126456525) is 5-hydroxyoctadecanoate.
What is the SMILES notation for 5-hydroxyoctadecanoate?
The canonical SMILES for 5-hydroxyoctadecanoate is CCCCCCCCCCCCCC(O)CCCC(=O)[O-].
What is the InChIKey of 5-hydroxyoctadecanoate?
The InChIKey is YTITYUDOZJUZBE-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/p-1.
What are the key properties of 5-hydroxyoctadecanoate?
5-hydroxyoctadecanoate has a molecular weight of 299.48 g/mol, XLogP of 3.97, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxyoctadecanoate is sourced from PubChem (CID 126456525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).