formyl formate;methane

C6H18O3 — CID 160932633

IUPACformyl formate;methane
SMILESC.C.C.C.O=COC=O
InChIInChI=1S/C2H2O3.4CH4/c3-1-5-2-4;;;;/h1-2H;4*1H4
InChIKeySTLRAAPNPMDLBO-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.86
Rot. Bonds2

About formyl formate;methane

formyl formate;methane (PubChem CID 160932633) has the molecular formula C6H18O3 and a molecular weight of 138.21 g/mol. Its IUPAC name is formyl formate;methane.

Molecular Properties

Compound Nameformyl formate;methane
PubChem CID160932633
Molecular FormulaC6H18O3
Molecular Weight138.21 g/mol
Exact Mass138.13
IUPAC Nameformyl formate;methane
SMILESC.C.C.C.O=COC=O
InChIInChI=1S/C2H2O3.4CH4/c3-1-5-2-4;;;;/h1-2H;4*1H4
InChIKeySTLRAAPNPMDLBO-UHFFFAOYSA-N
XLogP1.86
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

CID 87178418
CID 87178418
Methoxymethane;methyl formate
CID 87178627
Formyl formate;methane
CID 89446166
Ethane;formaldehyde;methyl formate
CID 157592308
Dimethyl carbonate;methane;methyl formate
CID 157792157
Methane;methyl formate
CID 157805691
Ethane;methane;methyl formate
CID 157965279
Methane;methyl formate
CID 159486548
CID 159982330
CID 159982330
Formaldehyde;methyl formate
CID 160094023
CID 162082553
CID 162082553
Methane;methyl formate
CID 162150401

Frequently Asked Questions

What is the IUPAC name of formyl formate;methane?
The IUPAC name of formyl formate;methane (CID 160932633) is formyl formate;methane.
What is the SMILES notation for formyl formate;methane?
The canonical SMILES for formyl formate;methane is C.C.C.C.O=COC=O.
What is the InChIKey of formyl formate;methane?
The InChIKey is STLRAAPNPMDLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O3.4CH4/c3-1-5-2-4;;;;/h1-2H;4*1H4.
What are the key properties of formyl formate;methane?
formyl formate;methane has a molecular weight of 138.21 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formyl formate;methane is sourced from PubChem (CID 160932633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).