dimethoxymethyl hydrogen carbonate

C4H8O5 — CID 23115014

IUPACdimethoxymethyl hydrogen carbonate
SMILESCOC(OC)OC(=O)O
InChIInChI=1S/C4H8O5/c1-7-4(8-2)9-3(5)6/h4H,1-2H3,(H,5,6)
InChIKeyUVXCHAHLEWNDAN-UHFFFAOYSA-N
MW136.10 g/mol
LogP0.26
Rot. Bonds3

About dimethoxymethyl hydrogen carbonate

dimethoxymethyl hydrogen carbonate (PubChem CID 23115014) has the molecular formula C4H8O5 and a molecular weight of 136.10 g/mol. Its IUPAC name is dimethoxymethyl hydrogen carbonate.

Molecular Properties

Compound Namedimethoxymethyl hydrogen carbonate
PubChem CID23115014
Molecular FormulaC4H8O5
Molecular Weight136.10 g/mol
Exact Mass136.04
IUPAC Namedimethoxymethyl hydrogen carbonate
SMILESCOC(OC)OC(=O)O
InChIInChI=1S/C4H8O5/c1-7-4(8-2)9-3(5)6/h4H,1-2H3,(H,5,6)
InChIKeyUVXCHAHLEWNDAN-UHFFFAOYSA-N
XLogP0.26
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.10
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 hydrogen carbonate?
The IUPAC name of dimethoxymethyl hydrogen carbonate (CID 23115014) is dimethoxymethyl hydrogen carbonate.
What is the SMILES notation for dimethoxymethyl hydrogen carbonate?
The canonical SMILES for dimethoxymethyl hydrogen carbonate is COC(OC)OC(=O)O.
What is the InChIKey of dimethoxymethyl hydrogen carbonate?
The InChIKey is UVXCHAHLEWNDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O5/c1-7-4(8-2)9-3(5)6/h4H,1-2H3,(H,5,6).
What are the key properties of dimethoxymethyl hydrogen carbonate?
dimethoxymethyl hydrogen carbonate has a molecular weight of 136.10 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxymethyl hydrogen carbonate is sourced from PubChem (CID 23115014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).