methoxymethoxy methyl carbonate

C4H8O5 — CID 150539650

IUPACmethoxymethoxy methyl carbonate
SMILESCOCOOC(=O)OC
InChIInChI=1S/C4H8O5/c1-6-3-8-9-4(5)7-2/h3H2,1-2H3
InChIKeyIFPHGJUJQXGDHI-UHFFFAOYSA-N
MW136.10 g/mol
LogP0.30
Rot. Bonds3

About methoxymethoxy methyl carbonate

methoxymethoxy methyl carbonate (PubChem CID 150539650) has the molecular formula C4H8O5 and a molecular weight of 136.10 g/mol. Its IUPAC name is methoxymethoxy methyl carbonate.

Molecular Properties

Compound Namemethoxymethoxy methyl carbonate
PubChem CID150539650
Molecular FormulaC4H8O5
Molecular Weight136.10 g/mol
Exact Mass136.04
IUPAC Namemethoxymethoxy methyl carbonate
SMILESCOCOOC(=O)OC
InChIInChI=1S/C4H8O5/c1-6-3-8-9-4(5)7-2/h3H2,1-2H3
InChIKeyIFPHGJUJQXGDHI-UHFFFAOYSA-N
XLogP0.30
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.10
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 methoxymethoxy methyl carbonate?
The IUPAC name of methoxymethoxy methyl carbonate (CID 150539650) is methoxymethoxy methyl carbonate.
What is the SMILES notation for methoxymethoxy methyl carbonate?
The canonical SMILES for methoxymethoxy methyl carbonate is COCOOC(=O)OC.
What is the InChIKey of methoxymethoxy methyl carbonate?
The InChIKey is IFPHGJUJQXGDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O5/c1-6-3-8-9-4(5)7-2/h3H2,1-2H3.
What are the key properties of methoxymethoxy methyl carbonate?
methoxymethoxy methyl carbonate has a molecular weight of 136.10 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethoxy methyl carbonate is sourced from PubChem (CID 150539650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).