cyclopropanol;ethyl formate

C6H12O3 — CID 157277391

IUPACcyclopropanol;ethyl formate
SMILESCCOC=O.OC1CC1
InChIInChI=1S/C3H6O2.C3H6O/c1-2-5-3-4;4-3-1-2-3/h3H,2H2,1H3;3-4H,1-2H2
InChIKeyAZGOHKHXDZQAOZ-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.32
Rot. Bonds2

About cyclopropanol;ethyl formate

cyclopropanol;ethyl formate (PubChem CID 157277391) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is cyclopropanol;ethyl formate.

Molecular Properties

Compound Namecyclopropanol;ethyl formate
PubChem CID157277391
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Namecyclopropanol;ethyl formate
SMILESCCOC=O.OC1CC1
InChIInChI=1S/C3H6O2.C3H6O/c1-2-5-3-4;4-3-1-2-3/h3H,2H2,1H3;3-4H,1-2H2
InChIKeyAZGOHKHXDZQAOZ-UHFFFAOYSA-N
XLogP0.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.32
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 cyclopropanol;ethyl formate?
The IUPAC name of cyclopropanol;ethyl formate (CID 157277391) is cyclopropanol;ethyl formate.
What is the SMILES notation for cyclopropanol;ethyl formate?
The canonical SMILES for cyclopropanol;ethyl formate is CCOC=O.OC1CC1.
What is the InChIKey of cyclopropanol;ethyl formate?
The InChIKey is AZGOHKHXDZQAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.C3H6O/c1-2-5-3-4;4-3-1-2-3/h3H,2H2,1H3;3-4H,1-2H2.
What are the key properties of cyclopropanol;ethyl formate?
cyclopropanol;ethyl formate has a molecular weight of 132.16 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanol;ethyl formate is sourced from PubChem (CID 157277391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).