(3Z,13Z)-2-methyloctadeca-3,13-dien-1-ol

C19H36O — CID 5364412

IUPAC(3Z,13Z)-2-methyloctadeca-3,13-dien-1-ol
SMILESCCCC/C=C\CCCCCCCC/C=C\C(C)CO
InChIInChI=1S/C19H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2)18-20/h6-7,16-17,19-20H,3-5,8-15,18H2,1-2H3/b7-6-,17-16-
InChIKeyZIOOKYHAOBSYOH-DNNFRFAMSA-N
MW280.50 g/mol
LogP6.04
Rot. Bonds14

About (3Z,13Z)-2-methyloctadeca-3,13-dien-1-ol

(3Z,13Z)-2-methyloctadeca-3,13-dien-1-ol (PubChem CID 5364412) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is (3Z,13Z)-2-methyloctadeca-3,13-dien-1-ol.

Molecular Properties

Compound Name(3Z,13Z)-2-methyloctadeca-3,13-dien-1-ol
PubChem CID5364412
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name(3Z,13Z)-2-methyloctadeca-3,13-dien-1-ol
SMILESCCCC/C=C\CCCCCCCC/C=C\C(C)CO
InChIInChI=1S/C19H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2)18-20/h6-7,16-17,19-20H,3-5,8-15,18H2,1-2H3/b7-6-,17-16-
InChIKeyZIOOKYHAOBSYOH-DNNFRFAMSA-N
XLogP6.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.04
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

(E)-3-methylundec-4-en-1-ol
CID 121006781
3-methyltetradec-4-ene
CID 123180851
(E)-3-methylnon-4-ene
CID 13082837
5-methylpentadec-6-ene
CID 123440014
(E,11S)-11-methyltricos-9-ene
CID 163215390
7-methylhexadec-5-ene
CID 150059561
(E)-10-methylheptadec-8-ene
CID 10923034
(E)-3-methyldec-4-ene
CID 5364642
(E,2S)-dec-3-ene-1,2-diol
CID 101192698
(2E,13Z)-octadeca-2,13-dien-1-ol
CID 5283306
(E)-heptadec-12-en-1-ol
CID 87814318
octadeca-2,13-dien-1-ol
CID 543270

Frequently Asked Questions

What is the IUPAC name of (3Z,13Z)-2-methyloctadeca-3,13-dien-1-ol?
The IUPAC name of (3Z,13Z)-2-methyloctadeca-3,13-dien-1-ol (CID 5364412) is (3Z,13Z)-2-methyloctadeca-3,13-dien-1-ol.
What is the SMILES notation for (3Z,13Z)-2-methyloctadeca-3,13-dien-1-ol?
The canonical SMILES for (3Z,13Z)-2-methyloctadeca-3,13-dien-1-ol is CCCC/C=C\CCCCCCCC/C=C\C(C)CO.
What is the InChIKey of (3Z,13Z)-2-methyloctadeca-3,13-dien-1-ol?
The InChIKey is ZIOOKYHAOBSYOH-DNNFRFAMSA-N. The full InChI is InChI=1S/C19H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2)18-20/h6-7,16-17,19-20H,3-5,8-15,18H2,1-2H3/b7-6-,17-16-.
What are the key properties of (3Z,13Z)-2-methyloctadeca-3,13-dien-1-ol?
(3Z,13Z)-2-methyloctadeca-3,13-dien-1-ol has a molecular weight of 280.50 g/mol, XLogP of 6.04, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,13Z)-2-methyloctadeca-3,13-dien-1-ol is sourced from PubChem (CID 5364412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).