1-methylsulfinyldodec-1-ene

C13H26OS — CID 54427791

IUPAC1-methylsulfinyldodec-1-ene
SMILESCCCCCCCCCCC=CS(C)=O
InChIInChI=1S/C13H26OS/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)14/h12-13H,3-11H2,1-2H3
InChIKeyWFISTWVXZKYBJD-UHFFFAOYSA-N
MW230.42 g/mol
LogP4.41
Rot. Bonds10

About 1-methylsulfinyldodec-1-ene

1-methylsulfinyldodec-1-ene (PubChem CID 54427791) has the molecular formula C13H26OS and a molecular weight of 230.42 g/mol. Its IUPAC name is 1-methylsulfinyldodec-1-ene.

Molecular Properties

Compound Name1-methylsulfinyldodec-1-ene
PubChem CID54427791
Molecular FormulaC13H26OS
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name1-methylsulfinyldodec-1-ene
SMILESCCCCCCCCCCC=CS(C)=O
InChIInChI=1S/C13H26OS/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)14/h12-13H,3-11H2,1-2H3
InChIKeyWFISTWVXZKYBJD-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 54.41
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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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinyldodec-1-ene?
The IUPAC name of 1-methylsulfinyldodec-1-ene (CID 54427791) is 1-methylsulfinyldodec-1-ene.
What is the SMILES notation for 1-methylsulfinyldodec-1-ene?
The canonical SMILES for 1-methylsulfinyldodec-1-ene is CCCCCCCCCCC=CS(C)=O.
What is the InChIKey of 1-methylsulfinyldodec-1-ene?
The InChIKey is WFISTWVXZKYBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OS/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)14/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-methylsulfinyldodec-1-ene?
1-methylsulfinyldodec-1-ene has a molecular weight of 230.42 g/mol, XLogP of 4.41, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinyldodec-1-ene is sourced from PubChem (CID 54427791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).