1-hydroxyethoxy methyl carbonate

C4H8O5 — CID 175191129

IUPAC1-hydroxyethoxy methyl carbonate
SMILESCOC(=O)OOC(C)O
InChIInChI=1S/C4H8O5/c1-3(5)8-9-4(6)7-2/h3,5H,1-2H3
InChIKeyGJNXWFGMCHXHGA-UHFFFAOYSA-N
MW136.10 g/mol
LogP0.04
Rot. Bonds2

About 1-hydroxyethoxy methyl carbonate

1-hydroxyethoxy methyl carbonate (PubChem CID 175191129) has the molecular formula C4H8O5 and a molecular weight of 136.10 g/mol. Its IUPAC name is 1-hydroxyethoxy methyl carbonate.

Molecular Properties

Compound Name1-hydroxyethoxy methyl carbonate
PubChem CID175191129
Molecular FormulaC4H8O5
Molecular Weight136.10 g/mol
Exact Mass136.04
IUPAC Name1-hydroxyethoxy methyl carbonate
SMILESCOC(=O)OOC(C)O
InChIInChI=1S/C4H8O5/c1-3(5)8-9-4(6)7-2/h3,5H,1-2H3
InChIKeyGJNXWFGMCHXHGA-UHFFFAOYSA-N
XLogP0.04
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.10
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxyethoxy methyl carbonate?
The IUPAC name of 1-hydroxyethoxy methyl carbonate (CID 175191129) is 1-hydroxyethoxy methyl carbonate.
What is the SMILES notation for 1-hydroxyethoxy methyl carbonate?
The canonical SMILES for 1-hydroxyethoxy methyl carbonate is COC(=O)OOC(C)O.
What is the InChIKey of 1-hydroxyethoxy methyl carbonate?
The InChIKey is GJNXWFGMCHXHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O5/c1-3(5)8-9-4(6)7-2/h3,5H,1-2H3.
What are the key properties of 1-hydroxyethoxy methyl carbonate?
1-hydroxyethoxy methyl carbonate has a molecular weight of 136.10 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyethoxy methyl carbonate is sourced from PubChem (CID 175191129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).