2-methyl-3-(2-methylprop-2-enylsulfonyl)prop-1-ene

C8H14O2S — CID 15189432

IUPAC2-methyl-3-(2-methylprop-2-enylsulfonyl)prop-1-ene
SMILESC=C(C)CS(=O)(=O)CC(=C)C
InChIInChI=1S/C8H14O2S/c1-7(2)5-11(9,10)6-8(3)4/h1,3,5-6H2,2,4H3
InChIKeyKBBFLJYBKMUGNO-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.55
Rot. Bonds4

About 2-methyl-3-(2-methylprop-2-enylsulfonyl)prop-1-ene

2-methyl-3-(2-methylprop-2-enylsulfonyl)prop-1-ene (PubChem CID 15189432) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 2-methyl-3-(2-methylprop-2-enylsulfonyl)prop-1-ene.

Molecular Properties

Compound Name2-methyl-3-(2-methylprop-2-enylsulfonyl)prop-1-ene
PubChem CID15189432
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name2-methyl-3-(2-methylprop-2-enylsulfonyl)prop-1-ene
SMILESC=C(C)CS(=O)(=O)CC(=C)C
InChIInChI=1S/C8H14O2S/c1-7(2)5-11(9,10)6-8(3)4/h1,3,5-6H2,2,4H3
InChIKeyKBBFLJYBKMUGNO-UHFFFAOYSA-N
XLogP1.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Thiophene, 2,5-dihydro-3-methyl-, 1,1-dioxide
CID 70941
4,5-Dihydrothiophene, 1,1-dioxide, 3-methyl-
CID 136676
3,4-Dimethyl-2,5-dihydrothiophene 1,1-dioxide
CID 313505
Methyl 2-methyl-2-propenyl sulfone
CID 5324760
1-[(E)-but-2-enyl]sulfonyl-3-methylbuta-1,2-diene
CID 15026003
Prenyl sulfone
CID 9942451
3-(Ethenylsulfonyl)-2-methyl-1-propene
CID 23466772
3-Ethylsulfinyl-2-methylprop-1-ene
CID 88205674
3-(Propane-1-sulfonyl)-propene
CID 13415228
Methyl 3-methyl-2-butenyl sulfone
CID 13076814
Allyl s-butyl sulfone
CID 86023834
2-Methyl-3-propan-2-ylsulfinylprop-1-ene
CID 123112495

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylprop-2-enylsulfonyl)prop-1-ene?
The IUPAC name of 2-methyl-3-(2-methylprop-2-enylsulfonyl)prop-1-ene (CID 15189432) is 2-methyl-3-(2-methylprop-2-enylsulfonyl)prop-1-ene.
What is the SMILES notation for 2-methyl-3-(2-methylprop-2-enylsulfonyl)prop-1-ene?
The canonical SMILES for 2-methyl-3-(2-methylprop-2-enylsulfonyl)prop-1-ene is C=C(C)CS(=O)(=O)CC(=C)C.
What is the InChIKey of 2-methyl-3-(2-methylprop-2-enylsulfonyl)prop-1-ene?
The InChIKey is KBBFLJYBKMUGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-7(2)5-11(9,10)6-8(3)4/h1,3,5-6H2,2,4H3.
What are the key properties of 2-methyl-3-(2-methylprop-2-enylsulfonyl)prop-1-ene?
2-methyl-3-(2-methylprop-2-enylsulfonyl)prop-1-ene has a molecular weight of 174.26 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylprop-2-enylsulfonyl)prop-1-ene is sourced from PubChem (CID 15189432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).