3-methyldodeca-2,6,10-trien-1-ol

C13H22O — CID 57126192

IUPAC3-methyldodeca-2,6,10-trien-1-ol
SMILESCC=CCCC=CCCC(C)=CCO
InChIInChI=1S/C13H22O/c1-3-4-5-6-7-8-9-10-13(2)11-12-14/h3-4,7-8,11,14H,5-6,9-10,12H2,1-2H3
InChIKeyVZABKPJKAKVWSX-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.62
Rot. Bonds7

About 3-methyldodeca-2,6,10-trien-1-ol

3-methyldodeca-2,6,10-trien-1-ol (PubChem CID 57126192) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-methyldodeca-2,6,10-trien-1-ol.

Molecular Properties

Compound Name3-methyldodeca-2,6,10-trien-1-ol
PubChem CID57126192
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name3-methyldodeca-2,6,10-trien-1-ol
SMILESCC=CCCC=CCCC(C)=CCO
InChIInChI=1S/C13H22O/c1-3-4-5-6-7-8-9-10-13(2)11-12-14/h3-4,7-8,11,14H,5-6,9-10,12H2,1-2H3
InChIKeyVZABKPJKAKVWSX-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.62
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

3-methylocta-2,6-dien-1-ol
CID 57183202
(2Z,6E,10E,14E,18E,22Z)-6,10,15,19-tetramethyltetracosa-2,6,10,14,18,22-hexaene
CID 102073218
3-methylhepta-2,5-dien-1-ol
CID 167443292
(2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol
CID 21397771
6,11-dimethyltrideca-2,6,10-triene
CID 139931040
(2E,7E,11E)-13-hydroxy-7,11-dimethyltrideca-2,7,11-trien-4-one
CID 21242335
(6E,10Z,14E,18Z)-2,10,23-trimethyltetracosa-2,6,10,14,18,22-hexaene
CID 5326453
(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
CID 126649589
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2E,6E,10E,14E,18E,22E)-tetracosa-2,6,10,14,18,22-hexaene
CID 57417215
(2E,6Z,10E)-dodeca-2,6,10-triene
CID 12503721

Frequently Asked Questions

What is the IUPAC name of 3-methyldodeca-2,6,10-trien-1-ol?
The IUPAC name of 3-methyldodeca-2,6,10-trien-1-ol (CID 57126192) is 3-methyldodeca-2,6,10-trien-1-ol.
What is the SMILES notation for 3-methyldodeca-2,6,10-trien-1-ol?
The canonical SMILES for 3-methyldodeca-2,6,10-trien-1-ol is CC=CCCC=CCCC(C)=CCO.
What is the InChIKey of 3-methyldodeca-2,6,10-trien-1-ol?
The InChIKey is VZABKPJKAKVWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-3-4-5-6-7-8-9-10-13(2)11-12-14/h3-4,7-8,11,14H,5-6,9-10,12H2,1-2H3.
What are the key properties of 3-methyldodeca-2,6,10-trien-1-ol?
3-methyldodeca-2,6,10-trien-1-ol has a molecular weight of 194.32 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyldodeca-2,6,10-trien-1-ol is sourced from PubChem (CID 57126192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).