1,1-dimethoxyethane;ethenone

C6H12O3 — CID 87235267

IUPAC1,1-dimethoxyethane;ethenone
SMILESC=C=O.COC(C)OC
InChIInChI=1S/C4H10O2.C2H2O/c1-4(5-2)6-3;1-2-3/h4H,1-3H3;1H2
InChIKeySRAOHICVNQDAGF-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.63
Rot. Bonds2

About 1,1-dimethoxyethane;ethenone

1,1-dimethoxyethane;ethenone (PubChem CID 87235267) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 1,1-dimethoxyethane;ethenone.

Molecular Properties

Compound Name1,1-dimethoxyethane;ethenone
PubChem CID87235267
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name1,1-dimethoxyethane;ethenone
SMILESC=C=O.COC(C)OC
InChIInChI=1S/C4H10O2.C2H2O/c1-4(5-2)6-3;1-2-3/h4H,1-3H3;1H2
InChIKeySRAOHICVNQDAGF-UHFFFAOYSA-N
XLogP0.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxyethane;ethenone?
The IUPAC name of 1,1-dimethoxyethane;ethenone (CID 87235267) is 1,1-dimethoxyethane;ethenone.
What is the SMILES notation for 1,1-dimethoxyethane;ethenone?
The canonical SMILES for 1,1-dimethoxyethane;ethenone is C=C=O.COC(C)OC.
What is the InChIKey of 1,1-dimethoxyethane;ethenone?
The InChIKey is SRAOHICVNQDAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.C2H2O/c1-4(5-2)6-3;1-2-3/h4H,1-3H3;1H2.
What are the key properties of 1,1-dimethoxyethane;ethenone?
1,1-dimethoxyethane;ethenone has a molecular weight of 132.16 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxyethane;ethenone is sourced from PubChem (CID 87235267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).