2-(2-cyclopropylethyl)oxirane

C7H12O — CID 89079153

IUPAC2-(2-cyclopropylethyl)oxirane
SMILESC1CC1CCC1CO1
InChIInChI=1S/C7H12O/c1-2-6(1)3-4-7-5-8-7/h6-7H,1-5H2
InChIKeyKILGRRVMDLCEQN-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.58
Rot. Bonds3

About 2-(2-cyclopropylethyl)oxirane

2-(2-cyclopropylethyl)oxirane (PubChem CID 89079153) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2-(2-cyclopropylethyl)oxirane.

Molecular Properties

Compound Name2-(2-cyclopropylethyl)oxirane
PubChem CID89079153
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2-(2-cyclopropylethyl)oxirane
SMILESC1CC1CCC1CO1
InChIInChI=1S/C7H12O/c1-2-6(1)3-4-7-5-8-7/h6-7H,1-5H2
InChIKeyKILGRRVMDLCEQN-UHFFFAOYSA-N
XLogP1.58
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethyl)oxirane?
The IUPAC name of 2-(2-cyclopropylethyl)oxirane (CID 89079153) is 2-(2-cyclopropylethyl)oxirane.
What is the SMILES notation for 2-(2-cyclopropylethyl)oxirane?
The canonical SMILES for 2-(2-cyclopropylethyl)oxirane is C1CC1CCC1CO1.
What is the InChIKey of 2-(2-cyclopropylethyl)oxirane?
The InChIKey is KILGRRVMDLCEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-2-6(1)3-4-7-5-8-7/h6-7H,1-5H2.
What are the key properties of 2-(2-cyclopropylethyl)oxirane?
2-(2-cyclopropylethyl)oxirane has a molecular weight of 112.17 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethyl)oxirane is sourced from PubChem (CID 89079153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).