(Z)-9-methylheptadec-6-enoic acid

C18H34O2 — CID 52921788

IUPAC(Z)-9-methylheptadec-6-enoic acid
SMILESCCCCCCCCC(C)C/C=C\CCCCC(=O)O
InChIInChI=1S/C18H34O2/c1-3-4-5-6-8-11-14-17(2)15-12-9-7-10-13-16-18(19)20/h9,12,17H,3-8,10-11,13-16H2,1-2H3,(H,19,20)/b12-9-
InChIKeyQQHLKKIONMSFBT-XFXZXTDPSA-N
MW282.47 g/mol
LogP5.96
Rot. Bonds14

About (Z)-9-methylheptadec-6-enoic acid

(Z)-9-methylheptadec-6-enoic acid (PubChem CID 52921788) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is (Z)-9-methylheptadec-6-enoic acid.

Molecular Properties

Compound Name(Z)-9-methylheptadec-6-enoic acid
PubChem CID52921788
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name(Z)-9-methylheptadec-6-enoic acid
SMILESCCCCCCCCC(C)C/C=C\CCCCC(=O)O
InChIInChI=1S/C18H34O2/c1-3-4-5-6-8-11-14-17(2)15-12-9-7-10-13-16-18(19)20/h9,12,17H,3-8,10-11,13-16H2,1-2H3,(H,19,20)/b12-9-
InChIKeyQQHLKKIONMSFBT-XFXZXTDPSA-N
XLogP5.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.96
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)-9-methylheptadec-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

Related Compounds

(9Z,12Z)-7-methyloctadeca-9,12-dienoic acid
CID 175030435
10-methyloctadec-6-enoic acid
CID 72542931
(Z)-19-methyltricos-9-enoic acid
CID 170905210
(E)-5-methyloctadec-9-enoic acid
CID 129219195
(E)-10-methyloctadec-7-ene
CID 173194246
16-methyl-2-octadecyldocos-13-enoic acid
CID 174214728
12-hydroxyicos-14-enoic acid
CID 169277255
(Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942
12-hydroxyhenicos-14-enoic acid
CID 169277303
(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222
13-methyl-2-tetradecyltetracos-15-enoic acid
CID 174214891
(Z)-12,13-dihydroxyoctadec-9-enoic acid
CID 10236635

Frequently Asked Questions

What is the IUPAC name of (Z)-9-methylheptadec-6-enoic acid?
The IUPAC name of (Z)-9-methylheptadec-6-enoic acid (CID 52921788) is (Z)-9-methylheptadec-6-enoic acid.
What is the SMILES notation for (Z)-9-methylheptadec-6-enoic acid?
The canonical SMILES for (Z)-9-methylheptadec-6-enoic acid is CCCCCCCCC(C)C/C=C\CCCCC(=O)O.
What is the InChIKey of (Z)-9-methylheptadec-6-enoic acid?
The InChIKey is QQHLKKIONMSFBT-XFXZXTDPSA-N. The full InChI is InChI=1S/C18H34O2/c1-3-4-5-6-8-11-14-17(2)15-12-9-7-10-13-16-18(19)20/h9,12,17H,3-8,10-11,13-16H2,1-2H3,(H,19,20)/b12-9-.
What are the key properties of (Z)-9-methylheptadec-6-enoic acid?
(Z)-9-methylheptadec-6-enoic acid has a molecular weight of 282.47 g/mol, XLogP of 5.96, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-9-methylheptadec-6-enoic acid is sourced from PubChem (CID 52921788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).