12-hydroxydodecyl dodecanoate

C24H48O3 — CID 23320424

IUPAC12-hydroxydodecyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCCCCCCCCCCCCO
InChIInChI=1S/C24H48O3/c1-2-3-4-5-6-9-12-15-18-21-24(26)27-23-20-17-14-11-8-7-10-13-16-19-22-25/h25H,2-23H2,1H3
InChIKeyKERMPRAIBKVUEH-UHFFFAOYSA-N
MW384.65 g/mol
LogP7.34
Rot. Bonds22

About 12-hydroxydodecyl dodecanoate

12-hydroxydodecyl dodecanoate (PubChem CID 23320424) has the molecular formula C24H48O3 and a molecular weight of 384.65 g/mol. Its IUPAC name is 12-hydroxydodecyl dodecanoate.

Molecular Properties

Compound Name12-hydroxydodecyl dodecanoate
PubChem CID23320424
Molecular FormulaC24H48O3
Molecular Weight384.65 g/mol
Exact Mass384.36
IUPAC Name12-hydroxydodecyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCCCCCCCCCCCCO
InChIInChI=1S/C24H48O3/c1-2-3-4-5-6-9-12-15-18-21-24(26)27-23-20-17-14-11-8-7-10-13-16-19-22-25/h25H,2-23H2,1H3
InChIKeyKERMPRAIBKVUEH-UHFFFAOYSA-N
XLogP7.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 57.34
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

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
12-hydroxydodecyl icosanoate
CID 170849788
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 dodecanoate?
The IUPAC name of 12-hydroxydodecyl dodecanoate (CID 23320424) is 12-hydroxydodecyl dodecanoate.
What is the SMILES notation for 12-hydroxydodecyl dodecanoate?
The canonical SMILES for 12-hydroxydodecyl dodecanoate is CCCCCCCCCCCC(=O)OCCCCCCCCCCCCO.
What is the InChIKey of 12-hydroxydodecyl dodecanoate?
The InChIKey is KERMPRAIBKVUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O3/c1-2-3-4-5-6-9-12-15-18-21-24(26)27-23-20-17-14-11-8-7-10-13-16-19-22-25/h25H,2-23H2,1H3.
What are the key properties of 12-hydroxydodecyl dodecanoate?
12-hydroxydodecyl dodecanoate has a molecular weight of 384.65 g/mol, XLogP of 7.34, 22 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxydodecyl dodecanoate is sourced from PubChem (CID 23320424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).