ethyl formate;methanol;toluene

C11H18O3 — CID 19688079

IUPACethyl formate;methanol;toluene
SMILESCCOC=O.CO.Cc1ccccc1
InChIInChI=1S/C7H8.C3H6O2.CH4O/c1-7-5-3-2-4-6-7;1-2-5-3-4;1-2/h2-6H,1H3;3H,2H2,1H3;2H,1H3
InChIKeyYBMYXVJZIXBZOC-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.78
Rot. Bonds2

About ethyl formate;methanol;toluene

ethyl formate;methanol;toluene (PubChem CID 19688079) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is ethyl formate;methanol;toluene.

Molecular Properties

Compound Nameethyl formate;methanol;toluene
PubChem CID19688079
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Nameethyl formate;methanol;toluene
SMILESCCOC=O.CO.Cc1ccccc1
InChIInChI=1S/C7H8.C3H6O2.CH4O/c1-7-5-3-2-4-6-7;1-2-5-3-4;1-2/h2-6H,1H3;3H,2H2,1H3;2H,1H3
InChIKeyYBMYXVJZIXBZOC-UHFFFAOYSA-N
XLogP1.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl formate;methanol;toluene?
The IUPAC name of ethyl formate;methanol;toluene (CID 19688079) is ethyl formate;methanol;toluene.
What is the SMILES notation for ethyl formate;methanol;toluene?
The canonical SMILES for ethyl formate;methanol;toluene is CCOC=O.CO.Cc1ccccc1.
What is the InChIKey of ethyl formate;methanol;toluene?
The InChIKey is YBMYXVJZIXBZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C3H6O2.CH4O/c1-7-5-3-2-4-6-7;1-2-5-3-4;1-2/h2-6H,1H3;3H,2H2,1H3;2H,1H3.
What are the key properties of ethyl formate;methanol;toluene?
ethyl formate;methanol;toluene has a molecular weight of 198.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;methanol;toluene is sourced from PubChem (CID 19688079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).