1,1,2-trimethoxyethene

C5H10O3 — CID 10997011

IUPAC1,1,2-trimethoxyethene
SMILESCOC=C(OC)OC
InChIInChI=1S/C5H10O3/c1-6-4-5(7-2)8-3/h4H,1-3H3
InChIKeyPEYJQPIHFQFVSO-UHFFFAOYSA-N
MW118.13 g/mol
LogP0.72
Rot. Bonds3

About 1,1,2-trimethoxyethene

1,1,2-trimethoxyethene (PubChem CID 10997011) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is 1,1,2-trimethoxyethene.

Molecular Properties

Compound Name1,1,2-trimethoxyethene
PubChem CID10997011
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name1,1,2-trimethoxyethene
SMILESCOC=C(OC)OC
InChIInChI=1S/C5H10O3/c1-6-4-5(7-2)8-3/h4H,1-3H3
InChIKeyPEYJQPIHFQFVSO-UHFFFAOYSA-N
XLogP0.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 50.72
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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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethoxyethene?
The IUPAC name of 1,1,2-trimethoxyethene (CID 10997011) is 1,1,2-trimethoxyethene.
What is the SMILES notation for 1,1,2-trimethoxyethene?
The canonical SMILES for 1,1,2-trimethoxyethene is COC=C(OC)OC.
What is the InChIKey of 1,1,2-trimethoxyethene?
The InChIKey is PEYJQPIHFQFVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-6-4-5(7-2)8-3/h4H,1-3H3.
What are the key properties of 1,1,2-trimethoxyethene?
1,1,2-trimethoxyethene has a molecular weight of 118.13 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethoxyethene is sourced from PubChem (CID 10997011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).