methyl formate

C8H16O8 — CID 159982330

IUPACmethyl formate
SMILESCOC=O.COC=O.COC=O.COC=O
InChIInChI=1S/4C2H4O2/c4*1-4-2-3/h4*2H,1H3
InChIKeyOFXSNRFSNYXENC-UHFFFAOYSA-N
MW240.21 g/mol
LogP-0.84
Rot. Bonds4

About methyl formate

methyl formate (PubChem CID 159982330) has the molecular formula C8H16O8 and a molecular weight of 240.21 g/mol. Its IUPAC name is methyl formate.

Molecular Properties

Compound Namemethyl formate
PubChem CID159982330
Molecular FormulaC8H16O8
Molecular Weight240.21 g/mol
Exact Mass240.08
IUPAC Namemethyl formate
SMILESCOC=O.COC=O.COC=O.COC=O
InChIInChI=1S/4C2H4O2/c4*1-4-2-3/h4*2H,1H3
InChIKeyOFXSNRFSNYXENC-UHFFFAOYSA-N
XLogP-0.84
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-0.84
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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Related Compounds

CID 87178418
CID 87178418
Methoxy(methoxymethoxymethoxymethoxy)methane;methoxymethoxymethoxymethyl methyl carbonate
CID 91003929
Dimethyl carbonate;methane;methyl formate
CID 157912171
Methane;methyl formate
CID 159486548
Carbon monoxide;formic acid;methane;methanol;methyl formate;dihydrate
CID 159663857
Carbon monoxide;methane;methanol;methyl formate;molecular hydrogen;hydrate
CID 159790264
Methoxymethylideneoxidanium;methyl formate
CID 159982331
Formaldehyde;methyl formate
CID 160094023
Methane;methoxymethoxymethyl methyl carbonate
CID 160786655
Formyl formate;methane
CID 160932633
CID 162082553
CID 162082553
Methane;methyl formate
CID 162150401

Frequently Asked Questions

What is the IUPAC name of methyl formate?
The IUPAC name of methyl formate (CID 159982330) is methyl formate.
What is the SMILES notation for methyl formate?
The canonical SMILES for methyl formate is COC=O.COC=O.COC=O.COC=O.
What is the InChIKey of methyl formate?
The InChIKey is OFXSNRFSNYXENC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C2H4O2/c4*1-4-2-3/h4*2H,1H3.
What are the key properties of methyl formate?
methyl formate has a molecular weight of 240.21 g/mol, XLogP of -0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl formate is sourced from PubChem (CID 159982330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).