10-hexyloctadecanoic acid

C24H48O2 — CID 91174619

IUPAC10-hexyloctadecanoic acid
SMILESCCCCCCCCC(CCCCCC)CCCCCCCCC(=O)O
InChIInChI=1S/C24H48O2/c1-3-5-7-9-12-16-20-23(19-15-8-6-4-2)21-17-13-10-11-14-18-22-24(25)26/h23H,3-22H2,1-2H3,(H,25,26)
InChIKeyRGBJKODPXYKXNI-UHFFFAOYSA-N
MW368.65 g/mol
LogP8.53
Rot. Bonds21

About 10-hexyloctadecanoic acid

10-hexyloctadecanoic acid (PubChem CID 91174619) has the molecular formula C24H48O2 and a molecular weight of 368.65 g/mol. Its IUPAC name is 10-hexyloctadecanoic acid.

Molecular Properties

Compound Name10-hexyloctadecanoic acid
PubChem CID91174619
Molecular FormulaC24H48O2
Molecular Weight368.65 g/mol
Exact Mass368.37
IUPAC Name10-hexyloctadecanoic acid
SMILESCCCCCCCCC(CCCCCC)CCCCCCCCC(=O)O
InChIInChI=1S/C24H48O2/c1-3-5-7-9-12-16-20-23(19-15-8-6-4-2)21-17-13-10-11-14-18-22-24(25)26/h23H,3-22H2,1-2H3,(H,25,26)
InChIKeyRGBJKODPXYKXNI-UHFFFAOYSA-N
XLogP8.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 58.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

23-pentylpentatetracontanedioic acid
CID 141048477
9-ethyloctadecanoic acid
CID 11045212
7-ethyldodecanoic acid
CID 5282689
4-decyl-11-pentylnonadecanoic acid
CID 57279723
2-heptylundecan-1-ol;hexadecanoic acid
CID 175092135
10-(aminomethyl)octadecanoic acid
CID 155144621
2,5-dioctyldecanedioic acid
CID 57235020
(813C)octadecanoic acid
CID 171379166
decanedioic acid;docosane
CID 158450687
octane;octanoic acid
CID 88924420
henicosane;tetracontanoic acid
CID 175935348
docosanoic acid;tetradecane
CID 157248197

Frequently Asked Questions

What is the IUPAC name of 10-hexyloctadecanoic acid?
The IUPAC name of 10-hexyloctadecanoic acid (CID 91174619) is 10-hexyloctadecanoic acid.
What is the SMILES notation for 10-hexyloctadecanoic acid?
The canonical SMILES for 10-hexyloctadecanoic acid is CCCCCCCCC(CCCCCC)CCCCCCCCC(=O)O.
What is the InChIKey of 10-hexyloctadecanoic acid?
The InChIKey is RGBJKODPXYKXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O2/c1-3-5-7-9-12-16-20-23(19-15-8-6-4-2)21-17-13-10-11-14-18-22-24(25)26/h23H,3-22H2,1-2H3,(H,25,26).
What are the key properties of 10-hexyloctadecanoic acid?
10-hexyloctadecanoic acid has a molecular weight of 368.65 g/mol, XLogP of 8.53, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hexyloctadecanoic acid is sourced from PubChem (CID 91174619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).