8-hydroxyoctyl 2-hydroxyoctadecanoate

C26H52O4 — CID 88959227

IUPAC8-hydroxyoctyl 2-hydroxyoctadecanoate
SMILESCCCCCCCCCCCCCCCCC(O)C(=O)OCCCCCCCCO
InChIInChI=1S/C26H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-25(28)26(29)30-24-21-18-15-14-17-20-23-27/h25,27-28H,2-24H2,1H3
InChIKeyRGYIZHBZBSFFFM-UHFFFAOYSA-N
MW428.70 g/mol
LogP7.09
Rot. Bonds24

About 8-hydroxyoctyl 2-hydroxyoctadecanoate

8-hydroxyoctyl 2-hydroxyoctadecanoate (PubChem CID 88959227) has the molecular formula C26H52O4 and a molecular weight of 428.70 g/mol. Its IUPAC name is 8-hydroxyoctyl 2-hydroxyoctadecanoate.

Molecular Properties

Compound Name8-hydroxyoctyl 2-hydroxyoctadecanoate
PubChem CID88959227
Molecular FormulaC26H52O4
Molecular Weight428.70 g/mol
Exact Mass428.39
IUPAC Name8-hydroxyoctyl 2-hydroxyoctadecanoate
SMILESCCCCCCCCCCCCCCCCC(O)C(=O)OCCCCCCCCO
InChIInChI=1S/C26H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-25(28)26(29)30-24-21-18-15-14-17-20-23-27/h25,27-28H,2-24H2,1H3
InChIKeyRGYIZHBZBSFFFM-UHFFFAOYSA-N
XLogP7.09
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.70
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

octadecyl 2-hydroxydocosanoate
CID 22753830
octacosyl 2-hydroxyoctadecanoate
CID 152554946
5-hydroxyoctacosyl 2-hydroxyoctadecanoate
CID 160811798
tetradecyl 2,3-dihydroxypropanoate
CID 23624049
tridecyl 2,3-dihydroxypropanoate
CID 141488973
hexyl 2-hydroxyhexanoate;hydrochloride
CID 174906603
9-hydroxynonyl 2-hexyldecanoate
CID 118599831
ethyl (2S)-2-hydroxytetracosanoate
CID 98049873
octadecyl 3,7-dihydroxyheptanoate
CID 174306119
ethyl 2-hydroxyheptanoate
CID 12743783
1-O-(2-hydroxyethyl) 3-O-octadecyl 2-methylpropanedioate
CID 153438598
4-hydroxybutyl 2,3-dihydroxypropanoate
CID 141224989

Frequently Asked Questions

What is the IUPAC name of 8-hydroxyoctyl 2-hydroxyoctadecanoate?
The IUPAC name of 8-hydroxyoctyl 2-hydroxyoctadecanoate (CID 88959227) is 8-hydroxyoctyl 2-hydroxyoctadecanoate.
What is the SMILES notation for 8-hydroxyoctyl 2-hydroxyoctadecanoate?
The canonical SMILES for 8-hydroxyoctyl 2-hydroxyoctadecanoate is CCCCCCCCCCCCCCCCC(O)C(=O)OCCCCCCCCO.
What is the InChIKey of 8-hydroxyoctyl 2-hydroxyoctadecanoate?
The InChIKey is RGYIZHBZBSFFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-25(28)26(29)30-24-21-18-15-14-17-20-23-27/h25,27-28H,2-24H2,1H3.
What are the key properties of 8-hydroxyoctyl 2-hydroxyoctadecanoate?
8-hydroxyoctyl 2-hydroxyoctadecanoate has a molecular weight of 428.70 g/mol, XLogP of 7.09, 24 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxyoctyl 2-hydroxyoctadecanoate is sourced from PubChem (CID 88959227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).