(5Z,9Z,12Z)-2-methyloctadeca-5,9,12-triene

C19H34 — CID 173133183

IUPAC(5Z,9Z,12Z)-2-methyloctadeca-5,9,12-triene
SMILESCCCCC/C=C\C/C=C\CC/C=C\CCC(C)C
InChIInChI=1S/C19H34/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h8-9,11-12,15-16,19H,4-7,10,13-14,17-18H2,1-3H3/b9-8-,12-11-,16-15-
InChIKeyIFKIJADBKRRMTL-UCVSHGSNSA-N
MW262.48 g/mol
LogP6.84
Rot. Bonds12

About (5Z,9Z,12Z)-2-methyloctadeca-5,9,12-triene

(5Z,9Z,12Z)-2-methyloctadeca-5,9,12-triene (PubChem CID 173133183) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is (5Z,9Z,12Z)-2-methyloctadeca-5,9,12-triene.

Molecular Properties

Compound Name(5Z,9Z,12Z)-2-methyloctadeca-5,9,12-triene
PubChem CID173133183
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name(5Z,9Z,12Z)-2-methyloctadeca-5,9,12-triene
SMILESCCCCC/C=C\C/C=C\CC/C=C\CCC(C)C
InChIInChI=1S/C19H34/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h8-9,11-12,15-16,19H,4-7,10,13-14,17-18H2,1-3H3/b9-8-,12-11-,16-15-
InChIKeyIFKIJADBKRRMTL-UCVSHGSNSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-methylhenicos-9-ene
CID 54211724
(E)-2-methylheptadec-7-ene
CID 173124832
(Z)-22-methyltricos-9-ene
CID 152752766
(E)-2-methylheptadec-8-ene
CID 20541049
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(5E,8E)-tetradeca-5,8-diene
CID 13430684
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
heptadeca-5,8,11-triene
CID 54101473
(4E,7E)-2-methylheptadeca-4,7-diene
CID 177270095
(Z)-11-methyldodec-5-ene
CID 159147265
docosa-4,7,11-triene
CID 141035180

Frequently Asked Questions

What is the IUPAC name of (5Z,9Z,12Z)-2-methyloctadeca-5,9,12-triene?
The IUPAC name of (5Z,9Z,12Z)-2-methyloctadeca-5,9,12-triene (CID 173133183) is (5Z,9Z,12Z)-2-methyloctadeca-5,9,12-triene.
What is the SMILES notation for (5Z,9Z,12Z)-2-methyloctadeca-5,9,12-triene?
The canonical SMILES for (5Z,9Z,12Z)-2-methyloctadeca-5,9,12-triene is CCCCC/C=C\C/C=C\CC/C=C\CCC(C)C.
What is the InChIKey of (5Z,9Z,12Z)-2-methyloctadeca-5,9,12-triene?
The InChIKey is IFKIJADBKRRMTL-UCVSHGSNSA-N. The full InChI is InChI=1S/C19H34/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h8-9,11-12,15-16,19H,4-7,10,13-14,17-18H2,1-3H3/b9-8-,12-11-,16-15-.
What are the key properties of (5Z,9Z,12Z)-2-methyloctadeca-5,9,12-triene?
(5Z,9Z,12Z)-2-methyloctadeca-5,9,12-triene has a molecular weight of 262.48 g/mol, XLogP of 6.84, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,9Z,12Z)-2-methyloctadeca-5,9,12-triene is sourced from PubChem (CID 173133183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).