8-hydroxypentadecyl dec-4-enoate

C25H48O3 — CID 163032912

IUPAC8-hydroxypentadecyl dec-4-enoate
SMILESCCCCCC=CCCC(=O)OCCCCCCCC(O)CCCCCCC
InChIInChI=1S/C25H48O3/c1-3-5-7-9-10-14-18-22-25(27)28-23-19-15-11-13-17-21-24(26)20-16-12-8-6-4-2/h10,14,24,26H,3-9,11-13,15-23H2,1-2H3
InChIKeyZQTVKZXQONBGCC-UHFFFAOYSA-N
MW396.66 g/mol
LogP7.51
Rot. Bonds21

About 8-hydroxypentadecyl dec-4-enoate

8-hydroxypentadecyl dec-4-enoate (PubChem CID 163032912) has the molecular formula C25H48O3 and a molecular weight of 396.66 g/mol. Its IUPAC name is 8-hydroxypentadecyl dec-4-enoate.

Molecular Properties

Compound Name8-hydroxypentadecyl dec-4-enoate
PubChem CID163032912
Molecular FormulaC25H48O3
Molecular Weight396.66 g/mol
Exact Mass396.36
IUPAC Name8-hydroxypentadecyl dec-4-enoate
SMILESCCCCCC=CCCC(=O)OCCCCCCCC(O)CCCCCCC
InChIInChI=1S/C25H48O3/c1-3-5-7-9-10-14-18-22-25(27)28-23-19-15-11-13-17-21-24(26)20-16-12-8-6-4-2/h10,14,24,26H,3-9,11-13,15-23H2,1-2H3
InChIKeyZQTVKZXQONBGCC-UHFFFAOYSA-N
XLogP7.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.66
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pentadecyl (Z,12R)-12-hydroxyoctadec-9-enoate
CID 88647381
[(Z,12R)-12-hydroxyoctadec-9-enyl] octatriacontanoate
CID 168953362
[(Z,12R)-12-hydroxyoctadec-9-enyl] hexadecanoate
CID 168953438
docosyl 12-hydroxyoctadec-9-enoate
CID 53436564
undecyl (Z,12R)-12-hydroxyoctadec-9-enoate
CID 87642834
[(E)-octadec-9-enyl] (Z,12R)-12-hydroxyoctadec-9-enoate
CID 124524443
[(12R)-12-hydroxyoctadec-9-enyl] docos-13-enoate
CID 154734970
[(Z,12R)-12-hydroxyoctadec-9-enyl] tetradecanoate
CID 168953312
butyl undec-4-enoate
CID 123192913
dihexadecyl oct-4-enedioate
CID 173208049
6-(10-hydroxyoctadecanoyloxy)hexyl 10-hydroxyoctadecanoate
CID 87579324
[(12R)-12-hydroxyoctadecyl] docosanoate
CID 98048529

Frequently Asked Questions

What is the IUPAC name of 8-hydroxypentadecyl dec-4-enoate?
The IUPAC name of 8-hydroxypentadecyl dec-4-enoate (CID 163032912) is 8-hydroxypentadecyl dec-4-enoate.
What is the SMILES notation for 8-hydroxypentadecyl dec-4-enoate?
The canonical SMILES for 8-hydroxypentadecyl dec-4-enoate is CCCCCC=CCCC(=O)OCCCCCCCC(O)CCCCCCC.
What is the InChIKey of 8-hydroxypentadecyl dec-4-enoate?
The InChIKey is ZQTVKZXQONBGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48O3/c1-3-5-7-9-10-14-18-22-25(27)28-23-19-15-11-13-17-21-24(26)20-16-12-8-6-4-2/h10,14,24,26H,3-9,11-13,15-23H2,1-2H3.
What are the key properties of 8-hydroxypentadecyl dec-4-enoate?
8-hydroxypentadecyl dec-4-enoate has a molecular weight of 396.66 g/mol, XLogP of 7.51, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxypentadecyl dec-4-enoate is sourced from PubChem (CID 163032912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).