1-hydroxyhexyl (Z)-octadec-9-enoate

C24H46O3 — CID 88844535

IUPAC1-hydroxyhexyl (Z)-octadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC(O)CCCCC
InChIInChI=1S/C24H46O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-22-24(26)27-23(25)21-19-6-4-2/h12-13,23,25H,3-11,14-22H2,1-2H3/b13-12-
InChIKeyMONFYYLWOOOPDJ-SEYXRHQNSA-N
MW382.63 g/mol
LogP7.47
Rot. Bonds20

About 1-hydroxyhexyl (Z)-octadec-9-enoate

1-hydroxyhexyl (Z)-octadec-9-enoate (PubChem CID 88844535) has the molecular formula C24H46O3 and a molecular weight of 382.63 g/mol. Its IUPAC name is 1-hydroxyhexyl (Z)-octadec-9-enoate.

Molecular Properties

Compound Name1-hydroxyhexyl (Z)-octadec-9-enoate
PubChem CID88844535
Molecular FormulaC24H46O3
Molecular Weight382.63 g/mol
Exact Mass382.34
IUPAC Name1-hydroxyhexyl (Z)-octadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC(O)CCCCC
InChIInChI=1S/C24H46O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-22-24(26)27-23(25)21-19-6-4-2/h12-13,23,25H,3-11,14-22H2,1-2H3/b13-12-
InChIKeyMONFYYLWOOOPDJ-SEYXRHQNSA-N
XLogP7.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,6-dihydroxyhexyl (9Z,12Z)-octadeca-9,12-dienoate
CID 140562104
1-octadec-9-enoyloxybutyl octadec-9-enoate
CID 54119316
1-[(Z)-octadec-9-enoyl]oxypentyl (Z)-octadec-9-enoate
CID 141044685
icosan-9-yl (Z)-docos-13-enoate
CID 25125275
1-hydroxyoctadec-9-enyl 2-(methylamino)acetate
CID 91364460
1-hydroxybutyl tetradecanoate
CID 141075613
propan-2-yl (Z)-tetradec-6-enoate
CID 139925977
2-[(Z)-hexadec-9-enoyl]oxyicosanoic acid
CID 134774812
2-[(Z)-nonadec-10-enoyl]oxydocosanoic acid
CID 171117635
2-[(Z)-octadec-9-enoyl]oxytetracosanoic acid
CID 134757105
2-[(Z)-heptadec-10-enoyl]oxytetradecanoic acid
CID 134785536
ethane;[(7Z,26Z)-tritriaconta-7,26-dien-17-yl] pentanoate
CID 171792492

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyhexyl (Z)-octadec-9-enoate?
The IUPAC name of 1-hydroxyhexyl (Z)-octadec-9-enoate (CID 88844535) is 1-hydroxyhexyl (Z)-octadec-9-enoate.
What is the SMILES notation for 1-hydroxyhexyl (Z)-octadec-9-enoate?
The canonical SMILES for 1-hydroxyhexyl (Z)-octadec-9-enoate is CCCCCCCC/C=C\CCCCCCCC(=O)OC(O)CCCCC.
What is the InChIKey of 1-hydroxyhexyl (Z)-octadec-9-enoate?
The InChIKey is MONFYYLWOOOPDJ-SEYXRHQNSA-N. The full InChI is InChI=1S/C24H46O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-22-24(26)27-23(25)21-19-6-4-2/h12-13,23,25H,3-11,14-22H2,1-2H3/b13-12-.
What are the key properties of 1-hydroxyhexyl (Z)-octadec-9-enoate?
1-hydroxyhexyl (Z)-octadec-9-enoate has a molecular weight of 382.63 g/mol, XLogP of 7.47, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyhexyl (Z)-octadec-9-enoate is sourced from PubChem (CID 88844535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).