2-methyl-2-propa-1,2-dienylsulfonylpropane

C7H12O2S — CID 10855770

IUPAC2-methyl-2-propa-1,2-dienylsulfonylpropane
SMILESC=C=CS(=O)(=O)C(C)(C)C
InChIInChI=1S/C7H12O2S/c1-5-6-10(8,9)7(2,3)4/h6H,1H2,2-4H3
InChIKeyVWNMKAALTIUSDY-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.50
Rot. Bonds1

About 2-methyl-2-propa-1,2-dienylsulfonylpropane

2-methyl-2-propa-1,2-dienylsulfonylpropane (PubChem CID 10855770) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 2-methyl-2-propa-1,2-dienylsulfonylpropane.

Molecular Properties

Compound Name2-methyl-2-propa-1,2-dienylsulfonylpropane
PubChem CID10855770
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name2-methyl-2-propa-1,2-dienylsulfonylpropane
SMILESC=C=CS(=O)(=O)C(C)(C)C
InChIInChI=1S/C7H12O2S/c1-5-6-10(8,9)7(2,3)4/h6H,1H2,2-4H3
InChIKeyVWNMKAALTIUSDY-UHFFFAOYSA-N
XLogP1.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propa-1,2-dienylsulfonylpropane?
The IUPAC name of 2-methyl-2-propa-1,2-dienylsulfonylpropane (CID 10855770) is 2-methyl-2-propa-1,2-dienylsulfonylpropane.
What is the SMILES notation for 2-methyl-2-propa-1,2-dienylsulfonylpropane?
The canonical SMILES for 2-methyl-2-propa-1,2-dienylsulfonylpropane is C=C=CS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-2-propa-1,2-dienylsulfonylpropane?
The InChIKey is VWNMKAALTIUSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-5-6-10(8,9)7(2,3)4/h6H,1H2,2-4H3.
What are the key properties of 2-methyl-2-propa-1,2-dienylsulfonylpropane?
2-methyl-2-propa-1,2-dienylsulfonylpropane has a molecular weight of 160.24 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propa-1,2-dienylsulfonylpropane is sourced from PubChem (CID 10855770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).