methane;methyl formate

C9H20O8 — CID 162150401

IUPACmethane;methyl formate
SMILESC.COC=O.COC=O.COC=O.COC=O
InChIInChI=1S/4C2H4O2.CH4/c4*1-4-2-3;/h4*2H,1H3;1H4
InChIKeyZLDAZTZIAYWICG-UHFFFAOYSA-N
MW256.25 g/mol
LogP-0.21
Rot. Bonds4

About methane;methyl formate

methane;methyl formate (PubChem CID 162150401) has the molecular formula C9H20O8 and a molecular weight of 256.25 g/mol. Its IUPAC name is methane;methyl formate.

Molecular Properties

Compound Namemethane;methyl formate
PubChem CID162150401
Molecular FormulaC9H20O8
Molecular Weight256.25 g/mol
Exact Mass256.12
IUPAC Namemethane;methyl formate
SMILESC.COC=O.COC=O.COC=O.COC=O
InChIInChI=1S/4C2H4O2.CH4/c4*1-4-2-3;/h4*2H,1H3;1H4
InChIKeyZLDAZTZIAYWICG-UHFFFAOYSA-N
XLogP-0.21
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methane;methyl formate?
The IUPAC name of methane;methyl formate (CID 162150401) is methane;methyl formate.
What is the SMILES notation for methane;methyl formate?
The canonical SMILES for methane;methyl formate is C.COC=O.COC=O.COC=O.COC=O.
What is the InChIKey of methane;methyl formate?
The InChIKey is ZLDAZTZIAYWICG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C2H4O2.CH4/c4*1-4-2-3;/h4*2H,1H3;1H4.
What are the key properties of methane;methyl formate?
methane;methyl formate has a molecular weight of 256.25 g/mol, XLogP of -0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl formate is sourced from PubChem (CID 162150401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).