1,4-dimethoxy-2-methylsulfonylbut-2-ene

C7H14O4S — CID 54174822

IUPAC1,4-dimethoxy-2-methylsulfonylbut-2-ene
SMILESCOCC=C(COC)S(C)(=O)=O
InChIInChI=1S/C7H14O4S/c1-10-5-4-7(6-11-2)12(3,8)9/h4H,5-6H2,1-3H3
InChIKeyOXNZXQAQUISUME-UHFFFAOYSA-N
MW194.25 g/mol
LogP0.21
Rot. Bonds5

About 1,4-dimethoxy-2-methylsulfonylbut-2-ene

1,4-dimethoxy-2-methylsulfonylbut-2-ene (PubChem CID 54174822) has the molecular formula C7H14O4S and a molecular weight of 194.25 g/mol. Its IUPAC name is 1,4-dimethoxy-2-methylsulfonylbut-2-ene.

Molecular Properties

Compound Name1,4-dimethoxy-2-methylsulfonylbut-2-ene
PubChem CID54174822
Molecular FormulaC7H14O4S
Molecular Weight194.25 g/mol
Exact Mass194.06
IUPAC Name1,4-dimethoxy-2-methylsulfonylbut-2-ene
SMILESCOCC=C(COC)S(C)(=O)=O
InChIInChI=1S/C7H14O4S/c1-10-5-4-7(6-11-2)12(3,8)9/h4H,5-6H2,1-3H3
InChIKeyOXNZXQAQUISUME-UHFFFAOYSA-N
XLogP0.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(bromomethylsulfonyl)-1,4-dimethoxybut-2-ene
CID 54165566
1-methoxy-3-methylsulfonylpropan-2-one
CID 44558334
(E)-2-bromo-1,4-dimethoxy-3-methylsulfonylbut-2-ene
CID 88825340
(Z)-3-hydroxy-5-methoxypent-3-en-2-one
CID 6439831
3-methoxyprop-1-ene-1-sulfonic acid
CID 154493989
2-methoxyacetaldehyde;zinc
CID 57446911
2-methoxyacetaldehyde;niobium
CID 87513078
4-methoxybut-2-en-2-olate
CID 58028382
(Z)-1-methoxy-3-methylpent-2-ene
CID 102323192
ethane;(Z)-1-methoxy-3-methylpent-2-ene
CID 168979167
(E)-6-methoxy-4-methylhex-4-enal
CID 59967277
1-methoxy-3-propan-2-ylsulfonylpropan-2-one
CID 107511613

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2-methylsulfonylbut-2-ene?
The IUPAC name of 1,4-dimethoxy-2-methylsulfonylbut-2-ene (CID 54174822) is 1,4-dimethoxy-2-methylsulfonylbut-2-ene.
What is the SMILES notation for 1,4-dimethoxy-2-methylsulfonylbut-2-ene?
The canonical SMILES for 1,4-dimethoxy-2-methylsulfonylbut-2-ene is COCC=C(COC)S(C)(=O)=O.
What is the InChIKey of 1,4-dimethoxy-2-methylsulfonylbut-2-ene?
The InChIKey is OXNZXQAQUISUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4S/c1-10-5-4-7(6-11-2)12(3,8)9/h4H,5-6H2,1-3H3.
What are the key properties of 1,4-dimethoxy-2-methylsulfonylbut-2-ene?
1,4-dimethoxy-2-methylsulfonylbut-2-ene has a molecular weight of 194.25 g/mol, XLogP of 0.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2-methylsulfonylbut-2-ene is sourced from PubChem (CID 54174822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).