12-methylsulfonyldodec-1-ene

C13H26O2S — CID 23295897

IUPAC12-methylsulfonyldodec-1-ene
SMILESC=CCCCCCCCCCCS(C)(=O)=O
InChIInChI=1S/C13H26O2S/c1-3-4-5-6-7-8-9-10-11-12-13-16(2,14)15/h3H,1,4-13H2,2H3
InChIKeyVJPRDEURNGIXCJ-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.73
Rot. Bonds11

About 12-methylsulfonyldodec-1-ene

12-methylsulfonyldodec-1-ene (PubChem CID 23295897) has the molecular formula C13H26O2S and a molecular weight of 246.42 g/mol. Its IUPAC name is 12-methylsulfonyldodec-1-ene.

Molecular Properties

Compound Name12-methylsulfonyldodec-1-ene
PubChem CID23295897
Molecular FormulaC13H26O2S
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name12-methylsulfonyldodec-1-ene
SMILESC=CCCCCCCCCCCS(C)(=O)=O
InChIInChI=1S/C13H26O2S/c1-3-4-5-6-7-8-9-10-11-12-13-16(2,14)15/h3H,1,4-13H2,2H3
InChIKeyVJPRDEURNGIXCJ-UHFFFAOYSA-N
XLogP3.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 12-methylsulfonyldodec-1-ene?
The IUPAC name of 12-methylsulfonyldodec-1-ene (CID 23295897) is 12-methylsulfonyldodec-1-ene.
What is the SMILES notation for 12-methylsulfonyldodec-1-ene?
The canonical SMILES for 12-methylsulfonyldodec-1-ene is C=CCCCCCCCCCCS(C)(=O)=O.
What is the InChIKey of 12-methylsulfonyldodec-1-ene?
The InChIKey is VJPRDEURNGIXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2S/c1-3-4-5-6-7-8-9-10-11-12-13-16(2,14)15/h3H,1,4-13H2,2H3.
What are the key properties of 12-methylsulfonyldodec-1-ene?
12-methylsulfonyldodec-1-ene has a molecular weight of 246.42 g/mol, XLogP of 3.73, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methylsulfonyldodec-1-ene is sourced from PubChem (CID 23295897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).