2-[(Z)-icos-11-enoyl]oxypropanoic acid

C23H42O4 — CID 138300369

IUPAC2-[(Z)-icos-11-enoyl]oxypropanoic acid
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)OC(C)C(=O)O
InChIInChI=1S/C23H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24)27-21(2)23(25)26/h10-11,21H,3-9,12-20H2,1-2H3,(H,25,26)/b11-10-
InChIKeyXUEBSXGNXQAMHN-KHPPLWFESA-N
MW382.59 g/mol
LogP6.82
Rot. Bonds19

About 2-[(Z)-icos-11-enoyl]oxypropanoic acid

2-[(Z)-icos-11-enoyl]oxypropanoic acid (PubChem CID 138300369) has the molecular formula C23H42O4 and a molecular weight of 382.59 g/mol. Its IUPAC name is 2-[(Z)-icos-11-enoyl]oxypropanoic acid.

Molecular Properties

Compound Name2-[(Z)-icos-11-enoyl]oxypropanoic acid
PubChem CID138300369
Molecular FormulaC23H42O4
Molecular Weight382.59 g/mol
Exact Mass382.31
IUPAC Name2-[(Z)-icos-11-enoyl]oxypropanoic acid
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)OC(C)C(=O)O
InChIInChI=1S/C23H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24)27-21(2)23(25)26/h10-11,21H,3-9,12-20H2,1-2H3,(H,25,26)/b11-10-
InChIKeyXUEBSXGNXQAMHN-KHPPLWFESA-N
XLogP6.82
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 56.82
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

Sodium stearoyllactate
CID 87913841
CID 172683559
CID 172683559
propan-2-yl (Z)-tetradec-6-enoate
CID 139925977
(1-methoxy-1-oxopropan-2-yl) (Z)-docos-13-enoate
CID 174959223
2-(2-tetradecanoyloxypropanoyloxy)propanoic acid
CID 54489487
propan-2-yl (Z)-dodec-6-enoate
CID 91750689
butan-2-yl (Z)-octadec-9-enoate
CID 12739678
3-methylbutan-2-yl (Z)-octadec-9-enoate
CID 58096461
propan-2-yl (E)-dodec-5-enoate
CID 91750680
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

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-icos-11-enoyl]oxypropanoic acid?
The IUPAC name of 2-[(Z)-icos-11-enoyl]oxypropanoic acid (CID 138300369) is 2-[(Z)-icos-11-enoyl]oxypropanoic acid.
What is the SMILES notation for 2-[(Z)-icos-11-enoyl]oxypropanoic acid?
The canonical SMILES for 2-[(Z)-icos-11-enoyl]oxypropanoic acid is CCCCCCCC/C=C\CCCCCCCCCC(=O)OC(C)C(=O)O.
What is the InChIKey of 2-[(Z)-icos-11-enoyl]oxypropanoic acid?
The InChIKey is XUEBSXGNXQAMHN-KHPPLWFESA-N. The full InChI is InChI=1S/C23H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24)27-21(2)23(25)26/h10-11,21H,3-9,12-20H2,1-2H3,(H,25,26)/b11-10-.
What are the key properties of 2-[(Z)-icos-11-enoyl]oxypropanoic acid?
2-[(Z)-icos-11-enoyl]oxypropanoic acid has a molecular weight of 382.59 g/mol, XLogP of 6.82, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-icos-11-enoyl]oxypropanoic acid is sourced from PubChem (CID 138300369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).