3,7,11-trimethyldodeca-1,6,11-trien-3-ol

C15H26O — CID 54462600

IUPAC3,7,11-trimethyldodeca-1,6,11-trien-3-ol
SMILESC=CC(C)(O)CCC=C(C)CCCC(=C)C
InChIInChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,11,16H,1-2,7-10,12H2,3-5H3
InChIKeyXCQMKMYPKNZRCW-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.40
Rot. Bonds8

About 3,7,11-trimethyldodeca-1,6,11-trien-3-ol

3,7,11-trimethyldodeca-1,6,11-trien-3-ol (PubChem CID 54462600) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 3,7,11-trimethyldodeca-1,6,11-trien-3-ol.

Molecular Properties

Compound Name3,7,11-trimethyldodeca-1,6,11-trien-3-ol
PubChem CID54462600
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name3,7,11-trimethyldodeca-1,6,11-trien-3-ol
SMILESC=CC(C)(O)CCC=C(C)CCCC(=C)C
InChIInChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,11,16H,1-2,7-10,12H2,3-5H3
InChIKeyXCQMKMYPKNZRCW-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,6E)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol
CID 57418031
(3S,6E)-3,7-dimethylnona-1,6-dien-3-ol
CID 38988672
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,14,34-pentaene-3,19,23,27,31-pentol
CID 73017728
(6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol
CID 15602246
(6E,14E)-10,11-ditert-butyl-3,7,14,18-tetramethylicosa-1,6,14,19-tetraene-3,18-diol
CID 134544188
2,6,10,14-tetramethylhexadeca-3,6,10,15-tetraene-2,14-diol
CID 163100315
(2E,6Z)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoic acid
CID 11615793
2,6,10,15,19,23-hexamethyltetracosa-1,6,18,22-tetraen-11,13-diyne-10,15-diol
CID 54543374
(6E,18E)-2,6,10,15,19,23-hexamethyltetracosa-1,6,18,22-tetraen-11,13-diyne-10,15-diol
CID 21427355
(3R,6E)-3,7,9,9-tetramethylundeca-1,6,10-trien-3-ol
CID 134861402
(6E,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-4-one
CID 163027409
3,7-dimethylocta-1,6-dien-3-ol;hexane
CID 135305503

Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethyldodeca-1,6,11-trien-3-ol?
The IUPAC name of 3,7,11-trimethyldodeca-1,6,11-trien-3-ol (CID 54462600) is 3,7,11-trimethyldodeca-1,6,11-trien-3-ol.
What is the SMILES notation for 3,7,11-trimethyldodeca-1,6,11-trien-3-ol?
The canonical SMILES for 3,7,11-trimethyldodeca-1,6,11-trien-3-ol is C=CC(C)(O)CCC=C(C)CCCC(=C)C.
What is the InChIKey of 3,7,11-trimethyldodeca-1,6,11-trien-3-ol?
The InChIKey is XCQMKMYPKNZRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,11,16H,1-2,7-10,12H2,3-5H3.
What are the key properties of 3,7,11-trimethyldodeca-1,6,11-trien-3-ol?
3,7,11-trimethyldodeca-1,6,11-trien-3-ol has a molecular weight of 222.37 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyldodeca-1,6,11-trien-3-ol is sourced from PubChem (CID 54462600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).