(Z)-17-methyloctadec-6-enoic acid

C19H36O2 — CID 5282256

IUPAC(Z)-17-methyloctadec-6-enoic acid
SMILESCC(C)CCCCCCCCC/C=C\CCCCC(=O)O
InChIInChI=1S/C19H36O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h7,9,18H,3-6,8,10-17H2,1-2H3,(H,20,21)/b9-7-
InChIKeyQWCJNFBLSZGETP-CLFYSBASSA-N
MW296.50 g/mol
LogP6.35
Rot. Bonds15

About (Z)-17-methyloctadec-6-enoic acid

(Z)-17-methyloctadec-6-enoic acid (PubChem CID 5282256) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is (Z)-17-methyloctadec-6-enoic acid.

Molecular Properties

Compound Name(Z)-17-methyloctadec-6-enoic acid
PubChem CID5282256
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name(Z)-17-methyloctadec-6-enoic acid
SMILESCC(C)CCCCCCCCC/C=C\CCCCC(=O)O
InChIInChI=1S/C19H36O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h7,9,18H,3-6,8,10-17H2,1-2H3,(H,20,21)/b9-7-
InChIKeyQWCJNFBLSZGETP-CLFYSBASSA-N
XLogP6.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.35
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'}

Analyze (Z)-17-methyloctadec-6-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-17-methyloctadec-6-enoic acid?
The IUPAC name of (Z)-17-methyloctadec-6-enoic acid (CID 5282256) is (Z)-17-methyloctadec-6-enoic acid.
What is the SMILES notation for (Z)-17-methyloctadec-6-enoic acid?
The canonical SMILES for (Z)-17-methyloctadec-6-enoic acid is CC(C)CCCCCCCCC/C=C\CCCCC(=O)O.
What is the InChIKey of (Z)-17-methyloctadec-6-enoic acid?
The InChIKey is QWCJNFBLSZGETP-CLFYSBASSA-N. The full InChI is InChI=1S/C19H36O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h7,9,18H,3-6,8,10-17H2,1-2H3,(H,20,21)/b9-7-.
What are the key properties of (Z)-17-methyloctadec-6-enoic acid?
(Z)-17-methyloctadec-6-enoic acid has a molecular weight of 296.50 g/mol, XLogP of 6.35, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-17-methyloctadec-6-enoic acid is sourced from PubChem (CID 5282256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).