methyl hydrogen carbonate

C4H8O6 — CID 158433300

IUPACmethyl hydrogen carbonate
SMILESCOC(=O)O.COC(=O)O
InChIInChI=1S/2C2H4O3/c2*1-5-2(3)4/h2*1H3,(H,3,4)
InChIKeyHBXOQABDQASCBL-UHFFFAOYSA-N
MW152.10 g/mol
LogP0.62
Rot. Bonds

About methyl hydrogen carbonate

methyl hydrogen carbonate (PubChem CID 158433300) has the molecular formula C4H8O6 and a molecular weight of 152.10 g/mol. Its IUPAC name is methyl hydrogen carbonate.

Molecular Properties

Compound Namemethyl hydrogen carbonate
PubChem CID158433300
Molecular FormulaC4H8O6
Molecular Weight152.10 g/mol
Exact Mass152.03
IUPAC Namemethyl hydrogen carbonate
SMILESCOC(=O)O.COC(=O)O
InChIInChI=1S/2C2H4O3/c2*1-5-2(3)4/h2*1H3,(H,3,4)
InChIKeyHBXOQABDQASCBL-UHFFFAOYSA-N
XLogP0.62
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.10
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl hydrogen carbonate?
The IUPAC name of methyl hydrogen carbonate (CID 158433300) is methyl hydrogen carbonate.
What is the SMILES notation for methyl hydrogen carbonate?
The canonical SMILES for methyl hydrogen carbonate is COC(=O)O.COC(=O)O.
What is the InChIKey of methyl hydrogen carbonate?
The InChIKey is HBXOQABDQASCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H4O3/c2*1-5-2(3)4/h2*1H3,(H,3,4).
What are the key properties of methyl hydrogen carbonate?
methyl hydrogen carbonate has a molecular weight of 152.10 g/mol, XLogP of 0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl hydrogen carbonate is sourced from PubChem (CID 158433300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).