(Z)-2-methoxyoctadec-9-enoic acid

C19H36O3 — CID 46235517

IUPAC(Z)-2-methoxyoctadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCC(OC)C(=O)O
InChIInChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(22-2)19(20)21/h10-11,18H,3-9,12-17H2,1-2H3,(H,20,21)/b11-10-
InChIKeyPMLZJDOVGALRRD-KHPPLWFESA-N
MW312.49 g/mol
LogP5.73
Rot. Bonds16

About (Z)-2-methoxyoctadec-9-enoic acid

(Z)-2-methoxyoctadec-9-enoic acid (PubChem CID 46235517) has the molecular formula C19H36O3 and a molecular weight of 312.49 g/mol. Its IUPAC name is (Z)-2-methoxyoctadec-9-enoic acid.

Molecular Properties

Compound Name(Z)-2-methoxyoctadec-9-enoic acid
PubChem CID46235517
Molecular FormulaC19H36O3
Molecular Weight312.49 g/mol
Exact Mass312.27
IUPAC Name(Z)-2-methoxyoctadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCC(OC)C(=O)O
InChIInChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(22-2)19(20)21/h10-11,18H,3-9,12-17H2,1-2H3,(H,20,21)/b11-10-
InChIKeyPMLZJDOVGALRRD-KHPPLWFESA-N
XLogP5.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.49
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-methoxyhexadecanoic acid
CID 656825
2-methoxytetracosanoic acid
CID 10453501
2-methoxypentacosanoic acid
CID 10476799
2-methoxyicosa-11,14,17-trienoic acid
CID 123931723
methyl (Z)-2-methoxytetradec-6-enoate
CID 11065524
2-[(Z)-nonadec-10-enoyl]oxydocosanoic acid
CID 171117635
2-[(Z)-octadec-9-enoyl]oxytetracosanoic acid
CID 134757105
(Z)-2-octadec-2-enoyloxyoctadec-9-enoic acid
CID 173127427
2-[(Z)-heptadec-10-enoyl]oxytetradecanoic acid
CID 134785536
2-[(Z)-hexadec-9-enoyl]oxyicosanoic acid
CID 134774812
2-[(Z)-hexadec-7-enyl]propanedioic acid
CID 87263289
2-[(Z)-heptadec-10-enyl]propanedioic acid
CID 174772234

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methoxyoctadec-9-enoic acid?
The IUPAC name of (Z)-2-methoxyoctadec-9-enoic acid (CID 46235517) is (Z)-2-methoxyoctadec-9-enoic acid.
What is the SMILES notation for (Z)-2-methoxyoctadec-9-enoic acid?
The canonical SMILES for (Z)-2-methoxyoctadec-9-enoic acid is CCCCCCCC/C=C\CCCCCCC(OC)C(=O)O.
What is the InChIKey of (Z)-2-methoxyoctadec-9-enoic acid?
The InChIKey is PMLZJDOVGALRRD-KHPPLWFESA-N. The full InChI is InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(22-2)19(20)21/h10-11,18H,3-9,12-17H2,1-2H3,(H,20,21)/b11-10-.
What are the key properties of (Z)-2-methoxyoctadec-9-enoic acid?
(Z)-2-methoxyoctadec-9-enoic acid has a molecular weight of 312.49 g/mol, XLogP of 5.73, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methoxyoctadec-9-enoic acid is sourced from PubChem (CID 46235517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).