10-hydroxydecanoyl octadec-9-enoate

C28H52O4 — CID 154118243

IUPAC10-hydroxydecanoyl octadec-9-enoate
SMILESCCCCCCCCC=CCCCCCCCC(=O)OC(=O)CCCCCCCCCO
InChIInChI=1S/C28H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-24-27(30)32-28(31)25-22-19-16-14-17-20-23-26-29/h9-10,29H,2-8,11-26H2,1H3
InChIKeyUEGWWOVMHDARPA-UHFFFAOYSA-N
MW452.72 g/mol
LogP8.21
Rot. Bonds24

About 10-hydroxydecanoyl octadec-9-enoate

10-hydroxydecanoyl octadec-9-enoate (PubChem CID 154118243) has the molecular formula C28H52O4 and a molecular weight of 452.72 g/mol. Its IUPAC name is 10-hydroxydecanoyl octadec-9-enoate.

Molecular Properties

Compound Name10-hydroxydecanoyl octadec-9-enoate
PubChem CID154118243
Molecular FormulaC28H52O4
Molecular Weight452.72 g/mol
Exact Mass452.39
IUPAC Name10-hydroxydecanoyl octadec-9-enoate
SMILESCCCCCCCCC=CCCCCCCCC(=O)OC(=O)CCCCCCCCCO
InChIInChI=1S/C28H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-24-27(30)32-28(31)25-22-19-16-14-17-20-23-26-29/h9-10,29H,2-8,11-26H2,1H3
InChIKeyUEGWWOVMHDARPA-UHFFFAOYSA-N
XLogP8.21
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.72
LogP ≤ 58.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(Z)-octadec-9-enoyl] pentacosanoate
CID 170168004
hexadecanoyl octadec-9-enoate
CID 54275429
[(Z)-hexadec-9-enoyl] hexadec-9-enoate
CID 173136221
cadmium;[(Z)-octadec-9-enoyl] (Z)-octadec-9-enoate
CID 174884194
azane;[(Z)-octadec-9-enoyl] octadec-9-enoate
CID 134587557
disodium;hydride;[(Z)-octadec-9-enoyl] (Z)-octadec-9-enoate
CID 173022555
dilithium;hydride;[(Z)-octadec-9-enoyl] (Z)-octadec-9-enoate
CID 174850979
sodium;hydride;octadec-9-enoyl octadec-9-enoate
CID 173290321
octadec-9-enoyl octadec-9-enoate;urea
CID 173452979
[(6E,9E,12E)-octadeca-6,9,12-trienoyl] (6E,9E,12E)-octadeca-6,9,12-trienoate
CID 87579236
[(Z)-non-3-enyl] 8-hydroxyoctanoate
CID 172621176
25-hydroxypentacosyl icos-13-enoate
CID 166097569

Frequently Asked Questions

What is the IUPAC name of 10-hydroxydecanoyl octadec-9-enoate?
The IUPAC name of 10-hydroxydecanoyl octadec-9-enoate (CID 154118243) is 10-hydroxydecanoyl octadec-9-enoate.
What is the SMILES notation for 10-hydroxydecanoyl octadec-9-enoate?
The canonical SMILES for 10-hydroxydecanoyl octadec-9-enoate is CCCCCCCCC=CCCCCCCCC(=O)OC(=O)CCCCCCCCCO.
What is the InChIKey of 10-hydroxydecanoyl octadec-9-enoate?
The InChIKey is UEGWWOVMHDARPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-24-27(30)32-28(31)25-22-19-16-14-17-20-23-26-29/h9-10,29H,2-8,11-26H2,1H3.
What are the key properties of 10-hydroxydecanoyl octadec-9-enoate?
10-hydroxydecanoyl octadec-9-enoate has a molecular weight of 452.72 g/mol, XLogP of 8.21, 24 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxydecanoyl octadec-9-enoate is sourced from PubChem (CID 154118243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).