3,7,11-trimethyl-11-methylsulfanyldodeca-2,4-dien-1-ol

C16H30OS — CID 54530583

IUPAC3,7,11-trimethyl-11-methylsulfanyldodeca-2,4-dien-1-ol
SMILESCSC(C)(C)CCCC(C)CC=CC(C)=CCO
InChIInChI=1S/C16H30OS/c1-14(8-6-9-15(2)11-13-17)10-7-12-16(3,4)18-5/h6,9,11,14,17H,7-8,10,12-13H2,1-5H3
InChIKeyYWGAYMLWIGYBNH-UHFFFAOYSA-N
MW270.48 g/mol
LogP4.82
Rot. Bonds9

About 3,7,11-trimethyl-11-methylsulfanyldodeca-2,4-dien-1-ol

3,7,11-trimethyl-11-methylsulfanyldodeca-2,4-dien-1-ol (PubChem CID 54530583) has the molecular formula C16H30OS and a molecular weight of 270.48 g/mol. Its IUPAC name is 3,7,11-trimethyl-11-methylsulfanyldodeca-2,4-dien-1-ol.

Molecular Properties

Compound Name3,7,11-trimethyl-11-methylsulfanyldodeca-2,4-dien-1-ol
PubChem CID54530583
Molecular FormulaC16H30OS
Molecular Weight270.48 g/mol
Exact Mass270.20
IUPAC Name3,7,11-trimethyl-11-methylsulfanyldodeca-2,4-dien-1-ol
SMILESCSC(C)(C)CCCC(C)CC=CC(C)=CCO
InChIInChI=1S/C16H30OS/c1-14(8-6-9-15(2)11-13-17)10-7-12-16(3,4)18-5/h6,9,11,14,17H,7-8,10,12-13H2,1-5H3
InChIKeyYWGAYMLWIGYBNH-UHFFFAOYSA-N
XLogP4.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethyl-11-methylsulfanyldodeca-2,4-dien-1-ol?
The IUPAC name of 3,7,11-trimethyl-11-methylsulfanyldodeca-2,4-dien-1-ol (CID 54530583) is 3,7,11-trimethyl-11-methylsulfanyldodeca-2,4-dien-1-ol.
What is the SMILES notation for 3,7,11-trimethyl-11-methylsulfanyldodeca-2,4-dien-1-ol?
The canonical SMILES for 3,7,11-trimethyl-11-methylsulfanyldodeca-2,4-dien-1-ol is CSC(C)(C)CCCC(C)CC=CC(C)=CCO.
What is the InChIKey of 3,7,11-trimethyl-11-methylsulfanyldodeca-2,4-dien-1-ol?
The InChIKey is YWGAYMLWIGYBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OS/c1-14(8-6-9-15(2)11-13-17)10-7-12-16(3,4)18-5/h6,9,11,14,17H,7-8,10,12-13H2,1-5H3.
What are the key properties of 3,7,11-trimethyl-11-methylsulfanyldodeca-2,4-dien-1-ol?
3,7,11-trimethyl-11-methylsulfanyldodeca-2,4-dien-1-ol has a molecular weight of 270.48 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyl-11-methylsulfanyldodeca-2,4-dien-1-ol is sourced from PubChem (CID 54530583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).