dimethoxymethyl methyl carbonate

C5H10O5 — CID 139686199

IUPACdimethoxymethyl methyl carbonate
SMILESCOC(=O)OC(OC)OC
InChIInChI=1S/C5H10O5/c1-7-4(6)10-5(8-2)9-3/h5H,1-3H3
InChIKeyPIHONAVTWKPLLK-UHFFFAOYSA-N
MW150.13 g/mol
LogP0.35
Rot. Bonds3

About dimethoxymethyl methyl carbonate

dimethoxymethyl methyl carbonate (PubChem CID 139686199) has the molecular formula C5H10O5 and a molecular weight of 150.13 g/mol. Its IUPAC name is dimethoxymethyl methyl carbonate.

Molecular Properties

Compound Namedimethoxymethyl methyl carbonate
PubChem CID139686199
Molecular FormulaC5H10O5
Molecular Weight150.13 g/mol
Exact Mass150.05
IUPAC Namedimethoxymethyl methyl carbonate
SMILESCOC(=O)OC(OC)OC
InChIInChI=1S/C5H10O5/c1-7-4(6)10-5(8-2)9-3/h5H,1-3H3
InChIKeyPIHONAVTWKPLLK-UHFFFAOYSA-N
XLogP0.35
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 dimethoxymethyl methyl carbonate?
The IUPAC name of dimethoxymethyl methyl carbonate (CID 139686199) is dimethoxymethyl methyl carbonate.
What is the SMILES notation for dimethoxymethyl methyl carbonate?
The canonical SMILES for dimethoxymethyl methyl carbonate is COC(=O)OC(OC)OC.
What is the InChIKey of dimethoxymethyl methyl carbonate?
The InChIKey is PIHONAVTWKPLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O5/c1-7-4(6)10-5(8-2)9-3/h5H,1-3H3.
What are the key properties of dimethoxymethyl methyl carbonate?
dimethoxymethyl methyl carbonate has a molecular weight of 150.13 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxymethyl methyl carbonate is sourced from PubChem (CID 139686199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).