(Z)-8-octanoyloxyhexadec-9-enoic acid

C24H44O4 — CID 138206597

IUPAC(Z)-8-octanoyloxyhexadec-9-enoic acid
SMILESCCCCCC/C=C\C(CCCCCCC(=O)O)OC(=O)CCCCCCC
InChIInChI=1S/C24H44O4/c1-3-5-7-9-11-14-18-22(19-15-12-13-16-20-23(25)26)28-24(27)21-17-10-8-6-4-2/h14,18,22H,3-13,15-17,19-21H2,1-2H3,(H,25,26)/b18-14-
InChIKeyLVTLVZASDHBGQH-JXAWBTAJSA-N
MW396.61 g/mol
LogP7.21
Rot. Bonds20

About (Z)-8-octanoyloxyhexadec-9-enoic acid

(Z)-8-octanoyloxyhexadec-9-enoic acid (PubChem CID 138206597) has the molecular formula C24H44O4 and a molecular weight of 396.61 g/mol. Its IUPAC name is (Z)-8-octanoyloxyhexadec-9-enoic acid.

Molecular Properties

Compound Name(Z)-8-octanoyloxyhexadec-9-enoic acid
PubChem CID138206597
Molecular FormulaC24H44O4
Molecular Weight396.61 g/mol
Exact Mass396.32
IUPAC Name(Z)-8-octanoyloxyhexadec-9-enoic acid
SMILESCCCCCC/C=C\C(CCCCCCC(=O)O)OC(=O)CCCCCCC
InChIInChI=1S/C24H44O4/c1-3-5-7-9-11-14-18-22(19-15-12-13-16-20-23(25)26)28-24(27)21-17-10-8-6-4-2/h14,18,22H,3-13,15-17,19-21H2,1-2H3,(H,25,26)/b18-14-
InChIKeyLVTLVZASDHBGQH-JXAWBTAJSA-N
XLogP7.21
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.61
LogP ≤ 57.21
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

(Z)-8-dodecanoyloxyheptadec-9-enoic acid
CID 138124028
(Z)-8-decanoyloxyoctadec-9-enoic acid
CID 138303671
(Z)-8-dodecanoyloxyoctadec-9-enoic acid
CID 138218220
(Z)-8-heptanoyloxynonadec-9-enoic acid
CID 138314262
(Z)-8-octadecanoyloxyhexadec-9-enoic acid
CID 138144670
(Z)-8-pentacosanoyloxynonadec-9-enoic acid
CID 138269638
(Z)-8-[(Z)-icos-11-enoyl]oxyheptadec-9-enoic acid
CID 138235841
(Z)-10-[(Z)-heptadec-9-enoyl]oxyhenicos-11-enoic acid
CID 138195146
(Z)-8-pentacosanoyloxytetradec-9-enoic acid
CID 138153651
(Z)-8-tetracosanoyloxytetradec-9-enoic acid
CID 138171715
(Z)-8-octanoyloxytetradec-9-enoic acid
CID 138301418
(Z)-8-[(Z)-tridec-9-enoyl]oxyheptadec-9-enoic acid
CID 138170887

Frequently Asked Questions

What is the IUPAC name of (Z)-8-octanoyloxyhexadec-9-enoic acid?
The IUPAC name of (Z)-8-octanoyloxyhexadec-9-enoic acid (CID 138206597) is (Z)-8-octanoyloxyhexadec-9-enoic acid.
What is the SMILES notation for (Z)-8-octanoyloxyhexadec-9-enoic acid?
The canonical SMILES for (Z)-8-octanoyloxyhexadec-9-enoic acid is CCCCCC/C=C\C(CCCCCCC(=O)O)OC(=O)CCCCCCC.
What is the InChIKey of (Z)-8-octanoyloxyhexadec-9-enoic acid?
The InChIKey is LVTLVZASDHBGQH-JXAWBTAJSA-N. The full InChI is InChI=1S/C24H44O4/c1-3-5-7-9-11-14-18-22(19-15-12-13-16-20-23(25)26)28-24(27)21-17-10-8-6-4-2/h14,18,22H,3-13,15-17,19-21H2,1-2H3,(H,25,26)/b18-14-.
What are the key properties of (Z)-8-octanoyloxyhexadec-9-enoic acid?
(Z)-8-octanoyloxyhexadec-9-enoic acid has a molecular weight of 396.61 g/mol, XLogP of 7.21, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-octanoyloxyhexadec-9-enoic acid is sourced from PubChem (CID 138206597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).