(E)-nonadec-14-enoic acid

C19H36O2 — CID 101410255

IUPAC(E)-nonadec-14-enoic acid
SMILESCCCC/C=C/CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h5-6H,2-4,7-18H2,1H3,(H,20,21)/b6-5+
InChIKeyAJILFHGWPOOFOW-AATRIKPKSA-N
MW296.50 g/mol
LogP6.50
Rot. Bonds16

About (E)-nonadec-14-enoic acid

(E)-nonadec-14-enoic acid (PubChem CID 101410255) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is (E)-nonadec-14-enoic acid.

Molecular Properties

Compound Name(E)-nonadec-14-enoic acid
PubChem CID101410255
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name(E)-nonadec-14-enoic acid
SMILESCCCC/C=C/CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h5-6H,2-4,7-18H2,1H3,(H,20,21)/b6-5+
InChIKeyAJILFHGWPOOFOW-AATRIKPKSA-N
XLogP6.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(E)-tetradec-9-enoic acid
CID 5312402
(E)-hexadec-11-enoic acid
CID 5312413
(E)-tricos-18-enoic acid
CID 20847589
dysprosium;tris((Z)-tetradec-9-enoic acid)
CID 155704207
praseodymium;(Z)-tetradec-9-enoic acid
CID 155169102
nickel;bis((Z)-tetradec-9-enoic acid)
CID 155704204
erbium;(Z)-tetradec-9-enoic acid
CID 155169208
lanthanum;tris((Z)-tetradec-9-enoic acid)
CID 155704268
tetradecanoic acid;tetradec-9-enoic acid
CID 162088286
iron;(Z)-octadec-13-enoic acid
CID 175306655
lithium;hydride;tetradec-9-enoic acid
CID 173353076
tetradec-8-enoic acid
CID 54338786

Frequently Asked Questions

What is the IUPAC name of (E)-nonadec-14-enoic acid?
The IUPAC name of (E)-nonadec-14-enoic acid (CID 101410255) is (E)-nonadec-14-enoic acid.
What is the SMILES notation for (E)-nonadec-14-enoic acid?
The canonical SMILES for (E)-nonadec-14-enoic acid is CCCC/C=C/CCCCCCCCCCCCC(=O)O.
What is the InChIKey of (E)-nonadec-14-enoic acid?
The InChIKey is AJILFHGWPOOFOW-AATRIKPKSA-N. The full InChI is InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h5-6H,2-4,7-18H2,1H3,(H,20,21)/b6-5+.
What are the key properties of (E)-nonadec-14-enoic acid?
(E)-nonadec-14-enoic acid has a molecular weight of 296.50 g/mol, XLogP of 6.50, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-nonadec-14-enoic acid is sourced from PubChem (CID 101410255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).