(E)-1-ethylsulfonyl-3-methoxyprop-1-ene

C6H12O3S — CID 99990264

IUPAC(E)-1-ethylsulfonyl-3-methoxyprop-1-ene
SMILESCCS(=O)(=O)/C=C/COC
InChIInChI=1S/C6H12O3S/c1-3-10(7,8)6-4-5-9-2/h4,6H,3,5H2,1-2H3/b6-4+
InChIKeyLSYLWAZZMMFIPN-GQCTYLIASA-N
MW164.23 g/mol
LogP0.58
Rot. Bonds4

About (E)-1-ethylsulfonyl-3-methoxyprop-1-ene

(E)-1-ethylsulfonyl-3-methoxyprop-1-ene (PubChem CID 99990264) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is (E)-1-ethylsulfonyl-3-methoxyprop-1-ene.

Molecular Properties

Compound Name(E)-1-ethylsulfonyl-3-methoxyprop-1-ene
PubChem CID99990264
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name(E)-1-ethylsulfonyl-3-methoxyprop-1-ene
SMILESCCS(=O)(=O)/C=C/COC
InChIInChI=1S/C6H12O3S/c1-3-10(7,8)6-4-5-9-2/h4,6H,3,5H2,1-2H3/b6-4+
InChIKeyLSYLWAZZMMFIPN-GQCTYLIASA-N
XLogP0.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxyprop-1-ene-1-sulfonic acid
CID 154493989
1-ethylsulfonylpent-1-ene
CID 57276747
(E)-3-ethylsulfonyl-N-(2-methoxyethyl)-N-methylprop-2-en-1-amine
CID 138573012
1-methoxypent-2-ene
CID 551185
1,6-bis(ethylsulfonyl)hexa-1,3,5-triene
CID 57048521
1-chloro-2-ethylsulfonylethene
CID 57135482
2-methoxyacetaldehyde;niobium
CID 87513078
2-methoxyacetaldehyde;zinc
CID 57446911
(2Z,5Z)-1,7-dimethoxyhepta-2,5-diene
CID 143599769
(E)-1-methoxyhex-2-ene
CID 5366215
2-(2-ethylsulfonylethenoxy)ethanamine
CID 57122229
3-methoxy-1-nitroprop-1-ene
CID 174742846

Frequently Asked Questions

What is the IUPAC name of (E)-1-ethylsulfonyl-3-methoxyprop-1-ene?
The IUPAC name of (E)-1-ethylsulfonyl-3-methoxyprop-1-ene (CID 99990264) is (E)-1-ethylsulfonyl-3-methoxyprop-1-ene.
What is the SMILES notation for (E)-1-ethylsulfonyl-3-methoxyprop-1-ene?
The canonical SMILES for (E)-1-ethylsulfonyl-3-methoxyprop-1-ene is CCS(=O)(=O)/C=C/COC.
What is the InChIKey of (E)-1-ethylsulfonyl-3-methoxyprop-1-ene?
The InChIKey is LSYLWAZZMMFIPN-GQCTYLIASA-N. The full InChI is InChI=1S/C6H12O3S/c1-3-10(7,8)6-4-5-9-2/h4,6H,3,5H2,1-2H3/b6-4+.
What are the key properties of (E)-1-ethylsulfonyl-3-methoxyprop-1-ene?
(E)-1-ethylsulfonyl-3-methoxyprop-1-ene has a molecular weight of 164.23 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethylsulfonyl-3-methoxyprop-1-ene is sourced from PubChem (CID 99990264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).