1,1-dimethoxyethene

C4H7O2+ — CID 134866855

IUPAC1,1-dimethoxyethene
SMILES[H][C+]=C(OC)OC
InChIInChI=1S/C4H7O2/c1-4(5-2)6-3/h1H,2-3H3/q+1
InChIKeyWUAKEYZEZRELCX-UHFFFAOYSA-N
MW87.10 g/mol
LogP0.55
Rot. Bonds2

About 1,1-dimethoxyethene

1,1-dimethoxyethene (PubChem CID 134866855) has the molecular formula C4H7O2+ and a molecular weight of 87.10 g/mol. Its IUPAC name is 1,1-dimethoxyethene.

Molecular Properties

Compound Name1,1-dimethoxyethene
PubChem CID134866855
Molecular FormulaC4H7O2+
Molecular Weight87.10 g/mol
Exact Mass87.04
IUPAC Name1,1-dimethoxyethene
SMILES[H][C+]=C(OC)OC
InChIInChI=1S/C4H7O2/c1-4(5-2)6-3/h1H,2-3H3/q+1
InChIKeyWUAKEYZEZRELCX-UHFFFAOYSA-N
XLogP0.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.10
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxyethene?
The IUPAC name of 1,1-dimethoxyethene (CID 134866855) is 1,1-dimethoxyethene.
What is the SMILES notation for 1,1-dimethoxyethene?
The canonical SMILES for 1,1-dimethoxyethene is [H][C+]=C(OC)OC.
What is the InChIKey of 1,1-dimethoxyethene?
The InChIKey is WUAKEYZEZRELCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O2/c1-4(5-2)6-3/h1H,2-3H3/q+1.
What are the key properties of 1,1-dimethoxyethene?
1,1-dimethoxyethene has a molecular weight of 87.10 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxyethene is sourced from PubChem (CID 134866855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).