12-hydroxydodecyl icosanoate

C32H64O3 — CID 170849788

IUPAC12-hydroxydodecyl icosanoate
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCO
InChIInChI=1S/C32H64O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-26-29-32(34)35-31-28-25-22-19-16-15-18-21-24-27-30-33/h33H,2-31H2,1H3
InChIKeyJVBREWLQXVEEFA-UHFFFAOYSA-N
MW496.86 g/mol
LogP10.46
Rot. Bonds30

About 12-hydroxydodecyl icosanoate

12-hydroxydodecyl icosanoate (PubChem CID 170849788) has the molecular formula C32H64O3 and a molecular weight of 496.86 g/mol. Its IUPAC name is 12-hydroxydodecyl icosanoate.

Molecular Properties

Compound Name12-hydroxydodecyl icosanoate
PubChem CID170849788
Molecular FormulaC32H64O3
Molecular Weight496.86 g/mol
Exact Mass496.49
IUPAC Name12-hydroxydodecyl icosanoate
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCO
InChIInChI=1S/C32H64O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-26-29-32(34)35-31-28-25-22-19-16-15-18-21-24-27-30-33/h33H,2-31H2,1H3
InChIKeyJVBREWLQXVEEFA-UHFFFAOYSA-N
XLogP10.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.86
LogP ≤ 510.46
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

12-hydroxydodecyl dodecanoate
CID 23320424
31-hydroxyhentriacontyl dodecanoate
CID 166097629
6-hydroxyhexyl octanoate
CID 23036666
9-hydroxynonyl nonanoate
CID 171474972
16-hydroxyhexadecyl dodecanoate
CID 166098146
34-hydroxytetratriacontyl dodecanoate
CID 166097619
1-O-decyl 5-O-(4-hydroxybutyl) pentanedioate
CID 71420059
hexadecyl 4-hydroxybutanoate
CID 14997818
butyl 7-hydroxyheptanoate
CID 54028620
butyl 12-hydroxydodecanoate
CID 18364328
hexadecyl nonanoate
CID 23372338
1-O-pentyl 6-O-tetradecyl hexanedioate
CID 91713904

Frequently Asked Questions

What is the IUPAC name of 12-hydroxydodecyl icosanoate?
The IUPAC name of 12-hydroxydodecyl icosanoate (CID 170849788) is 12-hydroxydodecyl icosanoate.
What is the SMILES notation for 12-hydroxydodecyl icosanoate?
The canonical SMILES for 12-hydroxydodecyl icosanoate is CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCO.
What is the InChIKey of 12-hydroxydodecyl icosanoate?
The InChIKey is JVBREWLQXVEEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-26-29-32(34)35-31-28-25-22-19-16-15-18-21-24-27-30-33/h33H,2-31H2,1H3.
What are the key properties of 12-hydroxydodecyl icosanoate?
12-hydroxydodecyl icosanoate has a molecular weight of 496.86 g/mol, XLogP of 10.46, 30 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxydodecyl icosanoate is sourced from PubChem (CID 170849788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).