1,1-dimethoxyethane

C4H10O2 — CID 10795

IUPAC1,1-dimethoxyethane
SMILESCOC(C)OC
InChIInChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3
InChIKeySPEUIVXLLWOEMJ-UHFFFAOYSA-N
MW90.12 g/mol
LogP0.63
Rot. Bonds2

About 1,1-dimethoxyethane

1,1-dimethoxyethane (PubChem CID 10795) has the molecular formula C4H10O2 and a molecular weight of 90.12 g/mol. Its IUPAC name is 1,1-dimethoxyethane.

Molecular Properties

Compound Name1,1-dimethoxyethane
PubChem CID10795
Molecular FormulaC4H10O2
Molecular Weight90.12 g/mol
Exact Mass90.07
IUPAC Name1,1-dimethoxyethane
SMILESCOC(C)OC
InChIInChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3
InChIKeySPEUIVXLLWOEMJ-UHFFFAOYSA-N
XLogP0.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.12
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxyethane?
The IUPAC name of 1,1-dimethoxyethane (CID 10795) is 1,1-dimethoxyethane.
What is the SMILES notation for 1,1-dimethoxyethane?
The canonical SMILES for 1,1-dimethoxyethane is COC(C)OC.
What is the InChIKey of 1,1-dimethoxyethane?
The InChIKey is SPEUIVXLLWOEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3.
What are the key properties of 1,1-dimethoxyethane?
1,1-dimethoxyethane has a molecular weight of 90.12 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxyethane is sourced from PubChem (CID 10795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).