ethyl formate;methanol

C4H10O3 — CID 87496134

IUPACethyl formate;methanol
SMILESCCOC=O.CO
InChIInChI=1S/C3H6O2.CH4O/c1-2-5-3-4;1-2/h3H,2H2,1H3;2H,1H3
InChIKeyMONIGHCKZUNWTN-UHFFFAOYSA-N
MW106.12 g/mol
LogP-0.21
Rot. Bonds2

About ethyl formate;methanol

ethyl formate;methanol (PubChem CID 87496134) has the molecular formula C4H10O3 and a molecular weight of 106.12 g/mol. Its IUPAC name is ethyl formate;methanol.

Molecular Properties

Compound Nameethyl formate;methanol
PubChem CID87496134
Molecular FormulaC4H10O3
Molecular Weight106.12 g/mol
Exact Mass106.06
IUPAC Nameethyl formate;methanol
SMILESCCOC=O.CO
InChIInChI=1S/C3H6O2.CH4O/c1-2-5-3-4;1-2/h3H,2H2,1H3;2H,1H3
InChIKeyMONIGHCKZUNWTN-UHFFFAOYSA-N
XLogP-0.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium;ethyl formate;hydroxide
CID 174914217
calcium;ethyl formate;dichloride
CID 174827324
ethyl formate;propa-1,2-diene
CID 174771655
ethyl formate;trifluoroborane
CID 88614500
cyclopropanol;ethyl formate
CID 157277391
ethyl formate;heptane
CID 159019275
ethyl formate;isocyanoethane
CID 161002490
bicyclo[2.2.2]octane;ethyl formate
CID 174816311
benzene;ethyl formate;hexane
CID 174516093
cyclopropanamine;ethyl formate;hydrochloride
CID 172851986
acetic acid;ethyl formate;propane-1,2,3-triol
CID 146572149
ethyl formate;7-oxabicyclo[2.2.1]heptane
CID 143754176

Frequently Asked Questions

What is the IUPAC name of ethyl formate;methanol?
The IUPAC name of ethyl formate;methanol (CID 87496134) is ethyl formate;methanol.
What is the SMILES notation for ethyl formate;methanol?
The canonical SMILES for ethyl formate;methanol is CCOC=O.CO.
What is the InChIKey of ethyl formate;methanol?
The InChIKey is MONIGHCKZUNWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.CH4O/c1-2-5-3-4;1-2/h3H,2H2,1H3;2H,1H3.
What are the key properties of ethyl formate;methanol?
ethyl formate;methanol has a molecular weight of 106.12 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;methanol is sourced from PubChem (CID 87496134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).