(9Z,12Z)-7-methyloctadeca-9,12-dienoic acid

C19H34O2 — CID 175030435

IUPAC(9Z,12Z)-7-methyloctadeca-9,12-dienoic acid
SMILESCCCCC/C=C\C/C=C\CC(C)CCCCCC(=O)O
InChIInChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-12-15-18(2)16-13-11-14-17-19(20)21/h7-8,10,12,18H,3-6,9,11,13-17H2,1-2H3,(H,20,21)/b8-7-,12-10-
InChIKeyZUOKJEVSMZPTJH-ZMBXXGKISA-N
MW294.48 g/mol
LogP6.13
Rot. Bonds14

About (9Z,12Z)-7-methyloctadeca-9,12-dienoic acid

(9Z,12Z)-7-methyloctadeca-9,12-dienoic acid (PubChem CID 175030435) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is (9Z,12Z)-7-methyloctadeca-9,12-dienoic acid.

Molecular Properties

Compound Name(9Z,12Z)-7-methyloctadeca-9,12-dienoic acid
PubChem CID175030435
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name(9Z,12Z)-7-methyloctadeca-9,12-dienoic acid
SMILESCCCCC/C=C\C/C=C\CC(C)CCCCCC(=O)O
InChIInChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-12-15-18(2)16-13-11-14-17-19(20)21/h7-8,10,12,18H,3-6,9,11,13-17H2,1-2H3,(H,20,21)/b8-7-,12-10-
InChIKeyZUOKJEVSMZPTJH-ZMBXXGKISA-N
XLogP6.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.13
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

(Z)-9-methylheptadec-6-enoic acid
CID 52921788
15-hydroxynonacosa-17,20-dienoic acid
CID 169277174
16-hydroxytriaconta-18,21-dienoic acid
CID 169276960
17-hydroxytriaconta-19,22-dienoic acid
CID 169277268
11-hydroxynonacosa-13,16-dienoic acid
CID 169276815
10-hydroxytetracosa-12,15-dienoic acid
CID 169276974
10-hydroxytricosa-12,15-dienoic acid
CID 169277481
10-methyloctadec-6-enoic acid
CID 72542931
(Z)-19-methyltricos-9-enoic acid
CID 170905210
tetracosa-9,12,15,18-tetraenoic acid
CID 75955148
(9E,12E)-(113C)octadeca-9,12-dienoic acid
CID 171042521
heptacosa-14,17-dienoic acid
CID 169276989

Frequently Asked Questions

What is the IUPAC name of (9Z,12Z)-7-methyloctadeca-9,12-dienoic acid?
The IUPAC name of (9Z,12Z)-7-methyloctadeca-9,12-dienoic acid (CID 175030435) is (9Z,12Z)-7-methyloctadeca-9,12-dienoic acid.
What is the SMILES notation for (9Z,12Z)-7-methyloctadeca-9,12-dienoic acid?
The canonical SMILES for (9Z,12Z)-7-methyloctadeca-9,12-dienoic acid is CCCCC/C=C\C/C=C\CC(C)CCCCCC(=O)O.
What is the InChIKey of (9Z,12Z)-7-methyloctadeca-9,12-dienoic acid?
The InChIKey is ZUOKJEVSMZPTJH-ZMBXXGKISA-N. The full InChI is InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-12-15-18(2)16-13-11-14-17-19(20)21/h7-8,10,12,18H,3-6,9,11,13-17H2,1-2H3,(H,20,21)/b8-7-,12-10-.
What are the key properties of (9Z,12Z)-7-methyloctadeca-9,12-dienoic acid?
(9Z,12Z)-7-methyloctadeca-9,12-dienoic acid has a molecular weight of 294.48 g/mol, XLogP of 6.13, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z)-7-methyloctadeca-9,12-dienoic acid is sourced from PubChem (CID 175030435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).