methane;methyl formate

C5H12O4 — CID 159486548

IUPACmethane;methyl formate
SMILESC.COC=O.COC=O
InChIInChI=1S/2C2H4O2.CH4/c2*1-4-2-3;/h2*2H,1H3;1H4
InChIKeyLXQRNGVXNNPLAJ-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.21
Rot. Bonds2

About methane;methyl formate

methane;methyl formate (PubChem CID 159486548) has the molecular formula C5H12O4 and a molecular weight of 136.15 g/mol. Its IUPAC name is methane;methyl formate.

Molecular Properties

Compound Namemethane;methyl formate
PubChem CID159486548
Molecular FormulaC5H12O4
Molecular Weight136.15 g/mol
Exact Mass136.07
IUPAC Namemethane;methyl formate
SMILESC.COC=O.COC=O
InChIInChI=1S/2C2H4O2.CH4/c2*1-4-2-3;/h2*2H,1H3;1H4
InChIKeyLXQRNGVXNNPLAJ-UHFFFAOYSA-N
XLogP0.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 159486548) 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.
What is the InChIKey of methane;methyl formate?
The InChIKey is LXQRNGVXNNPLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H4O2.CH4/c2*1-4-2-3;/h2*2H,1H3;1H4.
What are the key properties of methane;methyl formate?
methane;methyl formate has a molecular weight of 136.15 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl formate is sourced from PubChem (CID 159486548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).