(2E,4E)-2-methyldodeca-2,4-dien-1-ol

C13H24O — CID 16737921

IUPAC(2E,4E)-2-methyldodeca-2,4-dien-1-ol
SMILESCCCCCCC/C=C/C=C(\C)CO
InChIInChI=1S/C13H24O/c1-3-4-5-6-7-8-9-10-11-13(2)12-14/h9-11,14H,3-8,12H2,1-2H3/b10-9+,13-11+
InChIKeyARTJJQZPAKPOFQ-SNMPHBPQSA-N
MW196.33 g/mol
LogP3.84
Rot. Bonds8

About (2E,4E)-2-methyldodeca-2,4-dien-1-ol

(2E,4E)-2-methyldodeca-2,4-dien-1-ol (PubChem CID 16737921) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (2E,4E)-2-methyldodeca-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-2-methyldodeca-2,4-dien-1-ol
PubChem CID16737921
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(2E,4E)-2-methyldodeca-2,4-dien-1-ol
SMILESCCCCCCC/C=C/C=C(\C)CO
InChIInChI=1S/C13H24O/c1-3-4-5-6-7-8-9-10-11-13(2)12-14/h9-11,14H,3-8,12H2,1-2H3/b10-9+,13-11+
InChIKeyARTJJQZPAKPOFQ-SNMPHBPQSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(22E)-heptatetraconta-22,24-diene
CID 56629131
(10E,12Z)-octadeca-10,12-dien-1-ol
CID 11601413
(4E,6E)-pentacosa-4,6-dien-1-ol
CID 118460624
pentadeca-5,7-dien-1-ol
CID 91447211
(10Z,12E)-octadeca-10,12-dien-1-ol
CID 140698852
2-methyloctatetraconta-2,4,6-triene
CID 165175383
1,1-dioctoxydodeca-1,3-diene
CID 175225368
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(2E,4E)-2-methylpentadeca-2,4-dienamide
CID 169003282
(2E,4E)-2-methylheptacosa-2,4-dienamide
CID 169003266
2-methylpentadeca-2,4-dienamide
CID 168877600

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-methyldodeca-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-2-methyldodeca-2,4-dien-1-ol (CID 16737921) is (2E,4E)-2-methyldodeca-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-2-methyldodeca-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-2-methyldodeca-2,4-dien-1-ol is CCCCCCC/C=C/C=C(\C)CO.
What is the InChIKey of (2E,4E)-2-methyldodeca-2,4-dien-1-ol?
The InChIKey is ARTJJQZPAKPOFQ-SNMPHBPQSA-N. The full InChI is InChI=1S/C13H24O/c1-3-4-5-6-7-8-9-10-11-13(2)12-14/h9-11,14H,3-8,12H2,1-2H3/b10-9+,13-11+.
What are the key properties of (2E,4E)-2-methyldodeca-2,4-dien-1-ol?
(2E,4E)-2-methyldodeca-2,4-dien-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-methyldodeca-2,4-dien-1-ol is sourced from PubChem (CID 16737921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).