1-(2-ethoxyethylsulfonyl)prop-1-ene

C7H14O3S — CID 126550218

IUPAC1-(2-ethoxyethylsulfonyl)prop-1-ene
SMILESCC=CS(=O)(=O)CCOCC
InChIInChI=1S/C7H14O3S/c1-3-6-11(8,9)7-5-10-4-2/h3,6H,4-5,7H2,1-2H3
InChIKeyBZAZMMDJWPRMEB-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.97
Rot. Bonds5

About 1-(2-ethoxyethylsulfonyl)prop-1-ene

1-(2-ethoxyethylsulfonyl)prop-1-ene (PubChem CID 126550218) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 1-(2-ethoxyethylsulfonyl)prop-1-ene.

Molecular Properties

Compound Name1-(2-ethoxyethylsulfonyl)prop-1-ene
PubChem CID126550218
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name1-(2-ethoxyethylsulfonyl)prop-1-ene
SMILESCC=CS(=O)(=O)CCOCC
InChIInChI=1S/C7H14O3S/c1-3-6-11(8,9)7-5-10-4-2/h3,6H,4-5,7H2,1-2H3
InChIKeyBZAZMMDJWPRMEB-UHFFFAOYSA-N
XLogP0.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethylsulfonyl)ethanamine
CID 58684809
N-(1-bromo-3-methylbutan-2-yl)-2-ethoxyethanesulfonamide
CID 114294798
1-(2-propylsulfonylethenylsulfonyl)propane
CID 14212
2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite;molecular fluorine
CID 91382920
2-[2-(2-ethoxyethoxy)ethylsulfonyl]acetonitrile
CID 87616943
2-ethoxyethanol;sulfuric acid
CID 87749123
N-butan-2-yl-2-ethoxyethanesulfonamide
CID 62732367
1,2-diethoxyethane;hydrofluoride
CID 175535770
sodium 4-ethoxybutane-1-sulfonate
CID 58922096
5-ethoxypentane-1-sulfonic acid
CID 56995541
2-ethoxy-N-[2-(methylamino)ethyl]ethanesulfonamide;hydrochloride
CID 119973004
N-(2-chloroethyl)-2-ethoxy-N-methylethanesulfonamide
CID 63396523

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethylsulfonyl)prop-1-ene?
The IUPAC name of 1-(2-ethoxyethylsulfonyl)prop-1-ene (CID 126550218) is 1-(2-ethoxyethylsulfonyl)prop-1-ene.
What is the SMILES notation for 1-(2-ethoxyethylsulfonyl)prop-1-ene?
The canonical SMILES for 1-(2-ethoxyethylsulfonyl)prop-1-ene is CC=CS(=O)(=O)CCOCC.
What is the InChIKey of 1-(2-ethoxyethylsulfonyl)prop-1-ene?
The InChIKey is BZAZMMDJWPRMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-3-6-11(8,9)7-5-10-4-2/h3,6H,4-5,7H2,1-2H3.
What are the key properties of 1-(2-ethoxyethylsulfonyl)prop-1-ene?
1-(2-ethoxyethylsulfonyl)prop-1-ene has a molecular weight of 178.25 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethylsulfonyl)prop-1-ene is sourced from PubChem (CID 126550218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).