2-methyloctadeca-9,12,15-trien-1-ol

C19H34O — CID 91232731

IUPAC2-methyloctadeca-9,12,15-trien-1-ol
SMILESCCC=CCC=CCC=CCCCCCCC(C)CO
InChIInChI=1S/C19H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2)18-20/h4-5,7-8,10-11,19-20H,3,6,9,12-18H2,1-2H3
InChIKeyZZEZXCPBXZJPAG-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.81
Rot. Bonds13

About 2-methyloctadeca-9,12,15-trien-1-ol

2-methyloctadeca-9,12,15-trien-1-ol (PubChem CID 91232731) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is 2-methyloctadeca-9,12,15-trien-1-ol.

Molecular Properties

Compound Name2-methyloctadeca-9,12,15-trien-1-ol
PubChem CID91232731
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name2-methyloctadeca-9,12,15-trien-1-ol
SMILESCCC=CCC=CCC=CCCCCCCC(C)CO
InChIInChI=1S/C19H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2)18-20/h4-5,7-8,10-11,19-20H,3,6,9,12-18H2,1-2H3
InChIKeyZZEZXCPBXZJPAG-UHFFFAOYSA-N
XLogP5.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.81
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

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CID 91405814
(3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol
CID 121330977
(3Z,6Z,9Z,12Z,15Z)-21-methyldocosa-3,6,9,12,15-pentaene
CID 173133172
2-methyldec-8-en-1-ol
CID 151918594
(E)-10,15-dimethyltricos-3-ene
CID 173194599
(9Z,12Z,15Z)-4-methyloctadeca-9,12,15-trienoic acid
CID 174445218
(9E,12E,15E)-octadeca-9,12,15-trien-1-ol
CID 5367327
henicosa-6,9,12,15,18-pentaen-1-ol
CID 90716675
2-methylsulfanyldocosa-7,10,13,16,19-pentaen-1-ol
CID 91061901
(E)-undec-8-en-2-ol
CID 118316981
tetradeca-5,8,11-trien-1-ol
CID 165176373
10-methylundec-3-ene
CID 544769

Frequently Asked Questions

What is the IUPAC name of 2-methyloctadeca-9,12,15-trien-1-ol?
The IUPAC name of 2-methyloctadeca-9,12,15-trien-1-ol (CID 91232731) is 2-methyloctadeca-9,12,15-trien-1-ol.
What is the SMILES notation for 2-methyloctadeca-9,12,15-trien-1-ol?
The canonical SMILES for 2-methyloctadeca-9,12,15-trien-1-ol is CCC=CCC=CCC=CCCCCCCC(C)CO.
What is the InChIKey of 2-methyloctadeca-9,12,15-trien-1-ol?
The InChIKey is ZZEZXCPBXZJPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2)18-20/h4-5,7-8,10-11,19-20H,3,6,9,12-18H2,1-2H3.
What are the key properties of 2-methyloctadeca-9,12,15-trien-1-ol?
2-methyloctadeca-9,12,15-trien-1-ol has a molecular weight of 278.48 g/mol, XLogP of 5.81, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloctadeca-9,12,15-trien-1-ol is sourced from PubChem (CID 91232731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).