2,2-dimethoxyethanol;ethene

C6H14O3 — CID 174913157

IUPAC2,2-dimethoxyethanol;ethene
SMILESC=C.COC(CO)OC
InChIInChI=1S/C4H10O3.C2H4/c1-6-4(3-5)7-2;1-2/h4-5H,3H2,1-2H3;1-2H2
InChIKeyYRVURAAIFXBUIF-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.40
Rot. Bonds3

About 2,2-dimethoxyethanol;ethene

2,2-dimethoxyethanol;ethene (PubChem CID 174913157) has the molecular formula C6H14O3 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2,2-dimethoxyethanol;ethene.

Molecular Properties

Compound Name2,2-dimethoxyethanol;ethene
PubChem CID174913157
Molecular FormulaC6H14O3
Molecular Weight134.18 g/mol
Exact Mass134.09
IUPAC Name2,2-dimethoxyethanol;ethene
SMILESC=C.COC(CO)OC
InChIInChI=1S/C4H10O3.C2H4/c1-6-4(3-5)7-2;1-2/h4-5H,3H2,1-2H3;1-2H2
InChIKeyYRVURAAIFXBUIF-UHFFFAOYSA-N
XLogP0.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxyethanol;ethene?
The IUPAC name of 2,2-dimethoxyethanol;ethene (CID 174913157) is 2,2-dimethoxyethanol;ethene.
What is the SMILES notation for 2,2-dimethoxyethanol;ethene?
The canonical SMILES for 2,2-dimethoxyethanol;ethene is C=C.COC(CO)OC.
What is the InChIKey of 2,2-dimethoxyethanol;ethene?
The InChIKey is YRVURAAIFXBUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.C2H4/c1-6-4(3-5)7-2;1-2/h4-5H,3H2,1-2H3;1-2H2.
What are the key properties of 2,2-dimethoxyethanol;ethene?
2,2-dimethoxyethanol;ethene has a molecular weight of 134.18 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyethanol;ethene is sourced from PubChem (CID 174913157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).