(E)-1-methylsulfonyldec-1-ene

C11H22O2S — CID 12977963

IUPAC(E)-1-methylsulfonyldec-1-ene
SMILESCCCCCCCC/C=C/S(C)(=O)=O
InChIInChI=1S/C11H22O2S/c1-3-4-5-6-7-8-9-10-11-14(2,12)13/h10-11H,3-9H2,1-2H3/b11-10+
InChIKeyKPJMTRSYEIOLCT-ZHACJKMWSA-N
MW218.36 g/mol
LogP3.30
Rot. Bonds8

About (E)-1-methylsulfonyldec-1-ene

(E)-1-methylsulfonyldec-1-ene (PubChem CID 12977963) has the molecular formula C11H22O2S and a molecular weight of 218.36 g/mol. Its IUPAC name is (E)-1-methylsulfonyldec-1-ene.

Molecular Properties

Compound Name(E)-1-methylsulfonyldec-1-ene
PubChem CID12977963
Molecular FormulaC11H22O2S
Molecular Weight218.36 g/mol
Exact Mass218.13
IUPAC Name(E)-1-methylsulfonyldec-1-ene
SMILESCCCCCCCC/C=C/S(C)(=O)=O
InChIInChI=1S/C11H22O2S/c1-3-4-5-6-7-8-9-10-11-14(2,12)13/h10-11H,3-9H2,1-2H3/b11-10+
InChIKeyKPJMTRSYEIOLCT-ZHACJKMWSA-N
XLogP3.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dodecene-1-sulfonic acid, sodium salt
CID 74086827
1-Decene-1-sulfonic acid, sodium salt (1:1)
CID 6450292
Sodium C12 olefin sulfonate
CID 44150844
Sodium dodec-2-ene-1-sulfonate
CID 74934810
1-octadecene-1-sulfonic acid, sodium salt
CID 71437853
Hexadecenesulfonic acid, sodium salt (1:1)
CID 23673665
1-Octene-1-sulfonic acid, sodium salt (1:1)
CID 6450205
(E)-oct-1-ene-1-sulfonyl fluoride
CID 14815683
1-hexadecene-1-sulfonic acid, sodium salt
CID 53438054
(E)-1-(bromomethylsulfonyl)-oct-1-ene
CID 13172738
Pentadecene-1-sulfonic acid, sodium salt (1:1)
CID 23668629
1-Tetradecene-1-sulfonic acid, sodium salt (1:1)
CID 23712986

Frequently Asked Questions

What is the IUPAC name of (E)-1-methylsulfonyldec-1-ene?
The IUPAC name of (E)-1-methylsulfonyldec-1-ene (CID 12977963) is (E)-1-methylsulfonyldec-1-ene.
What is the SMILES notation for (E)-1-methylsulfonyldec-1-ene?
The canonical SMILES for (E)-1-methylsulfonyldec-1-ene is CCCCCCCC/C=C/S(C)(=O)=O.
What is the InChIKey of (E)-1-methylsulfonyldec-1-ene?
The InChIKey is KPJMTRSYEIOLCT-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H22O2S/c1-3-4-5-6-7-8-9-10-11-14(2,12)13/h10-11H,3-9H2,1-2H3/b11-10+.
What are the key properties of (E)-1-methylsulfonyldec-1-ene?
(E)-1-methylsulfonyldec-1-ene has a molecular weight of 218.36 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methylsulfonyldec-1-ene is sourced from PubChem (CID 12977963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).