2-chloro-1-ethenylsulfonyl-4,4-dimethylpent-2-ene

C9H15ClO2S — CID 173041848

IUPAC2-chloro-1-ethenylsulfonyl-4,4-dimethylpent-2-ene
SMILESC=CS(=O)(=O)CC(Cl)=CC(C)(C)C
InChIInChI=1S/C9H15ClO2S/c1-5-13(11,12)7-8(10)6-9(2,3)4/h5-6H,1,7H2,2-4H3
InChIKeyGAOIODIGUFHRAF-UHFFFAOYSA-N
MW222.74 g/mol
LogP2.71
Rot. Bonds3

About 2-chloro-1-ethenylsulfonyl-4,4-dimethylpent-2-ene

2-chloro-1-ethenylsulfonyl-4,4-dimethylpent-2-ene (PubChem CID 173041848) has the molecular formula C9H15ClO2S and a molecular weight of 222.74 g/mol. Its IUPAC name is 2-chloro-1-ethenylsulfonyl-4,4-dimethylpent-2-ene.

Molecular Properties

Compound Name2-chloro-1-ethenylsulfonyl-4,4-dimethylpent-2-ene
PubChem CID173041848
Molecular FormulaC9H15ClO2S
Molecular Weight222.74 g/mol
Exact Mass222.05
IUPAC Name2-chloro-1-ethenylsulfonyl-4,4-dimethylpent-2-ene
SMILESC=CS(=O)(=O)CC(Cl)=CC(C)(C)C
InChIInChI=1S/C9H15ClO2S/c1-5-13(11,12)7-8(10)6-9(2,3)4/h5-6H,1,7H2,2-4H3
InChIKeyGAOIODIGUFHRAF-UHFFFAOYSA-N
XLogP2.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.74
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-ethenylsulfonyl-4,4-dimethylpent-2-ene?
The IUPAC name of 2-chloro-1-ethenylsulfonyl-4,4-dimethylpent-2-ene (CID 173041848) is 2-chloro-1-ethenylsulfonyl-4,4-dimethylpent-2-ene.
What is the SMILES notation for 2-chloro-1-ethenylsulfonyl-4,4-dimethylpent-2-ene?
The canonical SMILES for 2-chloro-1-ethenylsulfonyl-4,4-dimethylpent-2-ene is C=CS(=O)(=O)CC(Cl)=CC(C)(C)C.
What is the InChIKey of 2-chloro-1-ethenylsulfonyl-4,4-dimethylpent-2-ene?
The InChIKey is GAOIODIGUFHRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClO2S/c1-5-13(11,12)7-8(10)6-9(2,3)4/h5-6H,1,7H2,2-4H3.
What are the key properties of 2-chloro-1-ethenylsulfonyl-4,4-dimethylpent-2-ene?
2-chloro-1-ethenylsulfonyl-4,4-dimethylpent-2-ene has a molecular weight of 222.74 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-ethenylsulfonyl-4,4-dimethylpent-2-ene is sourced from PubChem (CID 173041848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).