1-methylsulfinyldodecane

C13H28OS — CID 18319

IUPAC1-methylsulfinyldodecane
SMILESCCCCCCCCCCCCS(C)=O
InChIInChI=1S/C13H28OS/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)14/h3-13H2,1-2H3
InChIKeyCJPDBKNETSCHCH-UHFFFAOYSA-N
MW232.43 g/mol
LogP4.29
Rot. Bonds11

About 1-methylsulfinyldodecane

1-methylsulfinyldodecane (PubChem CID 18319) has the molecular formula C13H28OS and a molecular weight of 232.43 g/mol. Its IUPAC name is 1-methylsulfinyldodecane.

Molecular Properties

Compound Name1-methylsulfinyldodecane
PubChem CID18319
Molecular FormulaC13H28OS
Molecular Weight232.43 g/mol
Exact Mass232.19
IUPAC Name1-methylsulfinyldodecane
SMILESCCCCCCCCCCCCS(C)=O
InChIInChI=1S/C13H28OS/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)14/h3-13H2,1-2H3
InChIKeyCJPDBKNETSCHCH-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methyl octyl sulfide
CID 77289
1-(Methylsulfanyl)dodecane
CID 77287
Hexyl sulfoxide
CID 16593
Pentyl sulfoxide
CID 74806
Decyl methyl sulphide
CID 89712
Decyl methyl sulfoxide
CID 65111
Octyl sulfoxide
CID 74805
Sulfoxide, methyl tetradecyl
CID 537377
Heptyl sulfoxide
CID 91426
2-Thiaundecane
CID 524804
Imino-methyl-oxo-tridecyl-lambda6-sulfane
CID 44293083
1-Methanesulfinyl-hexane
CID 12244487

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinyldodecane?
The IUPAC name of 1-methylsulfinyldodecane (CID 18319) is 1-methylsulfinyldodecane.
What is the SMILES notation for 1-methylsulfinyldodecane?
The canonical SMILES for 1-methylsulfinyldodecane is CCCCCCCCCCCCS(C)=O.
What is the InChIKey of 1-methylsulfinyldodecane?
The InChIKey is CJPDBKNETSCHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28OS/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)14/h3-13H2,1-2H3.
What are the key properties of 1-methylsulfinyldodecane?
1-methylsulfinyldodecane has a molecular weight of 232.43 g/mol, XLogP of 4.29, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinyldodecane is sourced from PubChem (CID 18319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).