2-(3-cyclopropylpropyl)oxirane

C8H14O — CID 58556702

IUPAC2-(3-cyclopropylpropyl)oxirane
SMILESC(CC1CC1)CC1CO1
InChIInChI=1S/C8H14O/c1(2-7-4-5-7)3-8-6-9-8/h7-8H,1-6H2
InChIKeyFCZIZKXHABEBTH-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.97
Rot. Bonds4

About 2-(3-cyclopropylpropyl)oxirane

2-(3-cyclopropylpropyl)oxirane (PubChem CID 58556702) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-(3-cyclopropylpropyl)oxirane.

Molecular Properties

Compound Name2-(3-cyclopropylpropyl)oxirane
PubChem CID58556702
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-(3-cyclopropylpropyl)oxirane
SMILESC(CC1CC1)CC1CO1
InChIInChI=1S/C8H14O/c1(2-7-4-5-7)3-8-6-9-8/h7-8H,1-6H2
InChIKeyFCZIZKXHABEBTH-UHFFFAOYSA-N
XLogP1.97
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.97
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-(3-cyclopropylpropyl)oxirane?
The IUPAC name of 2-(3-cyclopropylpropyl)oxirane (CID 58556702) is 2-(3-cyclopropylpropyl)oxirane.
What is the SMILES notation for 2-(3-cyclopropylpropyl)oxirane?
The canonical SMILES for 2-(3-cyclopropylpropyl)oxirane is C(CC1CC1)CC1CO1.
What is the InChIKey of 2-(3-cyclopropylpropyl)oxirane?
The InChIKey is FCZIZKXHABEBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1(2-7-4-5-7)3-8-6-9-8/h7-8H,1-6H2.
What are the key properties of 2-(3-cyclopropylpropyl)oxirane?
2-(3-cyclopropylpropyl)oxirane has a molecular weight of 126.20 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylpropyl)oxirane is sourced from PubChem (CID 58556702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).