2-ethoxy-3-propan-2-ylsulfonylprop-1-ene

C8H16O3S — CID 158746630

IUPAC2-ethoxy-3-propan-2-ylsulfonylprop-1-ene
SMILESC=C(CS(=O)(=O)C(C)C)OCC
InChIInChI=1S/C8H16O3S/c1-5-11-8(4)6-12(9,10)7(2)3/h7H,4-6H2,1-3H3
InChIKeyQCJYVEAOVHLPBX-UHFFFAOYSA-N
MW192.28 g/mol
LogP1.36
Rot. Bonds5

About 2-ethoxy-3-propan-2-ylsulfonylprop-1-ene

2-ethoxy-3-propan-2-ylsulfonylprop-1-ene (PubChem CID 158746630) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-ethoxy-3-propan-2-ylsulfonylprop-1-ene.

Molecular Properties

Compound Name2-ethoxy-3-propan-2-ylsulfonylprop-1-ene
PubChem CID158746630
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name2-ethoxy-3-propan-2-ylsulfonylprop-1-ene
SMILESC=C(CS(=O)(=O)C(C)C)OCC
InChIInChI=1S/C8H16O3S/c1-5-11-8(4)6-12(9,10)7(2)3/h7H,4-6H2,1-3H3
InChIKeyQCJYVEAOVHLPBX-UHFFFAOYSA-N
XLogP1.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

InChI=1/C5H8O3S/c1-5-4-9(6,7)3-2-8-5/h4H,2-3H2,1H
CID 15939947
Ethoxyethane;3-prop-2-enylsulfonylprop-1-ene
CID 87616046
2-(3-Methylsulfonylpropoxy)but-2-ene
CID 123377986
2-Ethoxy-3-methylsulfonylbut-1-ene
CID 123567053
2-[2-(2-Prop-1-en-2-ylsulfonylethoxy)ethylsulfonyl]prop-1-ene
CID 130227132
5-Methyl-2,3-dihydro-1,4-oxathiine 4,4-dioxide
CID 132062263
3-(2-Ethoxyethylsulfonyl)prop-1-ene
CID 173493471
Ethoxyethane;3-methylsulfonylprop-1-ene
CID 174719328
3-propan-2-yloxy-2H-thiete 1,1-dioxide
CID 13168989

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-propan-2-ylsulfonylprop-1-ene?
The IUPAC name of 2-ethoxy-3-propan-2-ylsulfonylprop-1-ene (CID 158746630) is 2-ethoxy-3-propan-2-ylsulfonylprop-1-ene.
What is the SMILES notation for 2-ethoxy-3-propan-2-ylsulfonylprop-1-ene?
The canonical SMILES for 2-ethoxy-3-propan-2-ylsulfonylprop-1-ene is C=C(CS(=O)(=O)C(C)C)OCC.
What is the InChIKey of 2-ethoxy-3-propan-2-ylsulfonylprop-1-ene?
The InChIKey is QCJYVEAOVHLPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-5-11-8(4)6-12(9,10)7(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 2-ethoxy-3-propan-2-ylsulfonylprop-1-ene?
2-ethoxy-3-propan-2-ylsulfonylprop-1-ene has a molecular weight of 192.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-propan-2-ylsulfonylprop-1-ene is sourced from PubChem (CID 158746630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).