2-(cyclopent-3-en-1-yloxymethyl)oxirane

C8H12O2 — CID 87185073

IUPAC2-(cyclopent-3-en-1-yloxymethyl)oxirane
SMILESC1=CCC(OCC2CO2)C1
InChIInChI=1S/C8H12O2/c1-2-4-7(3-1)9-5-8-6-10-8/h1-2,7-8H,3-6H2
InChIKeyIXAXAPDHUCWHNW-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.12
Rot. Bonds3

About 2-(cyclopent-3-en-1-yloxymethyl)oxirane

2-(cyclopent-3-en-1-yloxymethyl)oxirane (PubChem CID 87185073) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-(cyclopent-3-en-1-yloxymethyl)oxirane.

Molecular Properties

Compound Name2-(cyclopent-3-en-1-yloxymethyl)oxirane
PubChem CID87185073
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-(cyclopent-3-en-1-yloxymethyl)oxirane
SMILESC1=CCC(OCC2CO2)C1
InChIInChI=1S/C8H12O2/c1-2-4-7(3-1)9-5-8-6-10-8/h1-2,7-8H,3-6H2
InChIKeyIXAXAPDHUCWHNW-UHFFFAOYSA-N
XLogP1.12
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopent-3-en-1-yloxymethyl)oxirane?
The IUPAC name of 2-(cyclopent-3-en-1-yloxymethyl)oxirane (CID 87185073) is 2-(cyclopent-3-en-1-yloxymethyl)oxirane.
What is the SMILES notation for 2-(cyclopent-3-en-1-yloxymethyl)oxirane?
The canonical SMILES for 2-(cyclopent-3-en-1-yloxymethyl)oxirane is C1=CCC(OCC2CO2)C1.
What is the InChIKey of 2-(cyclopent-3-en-1-yloxymethyl)oxirane?
The InChIKey is IXAXAPDHUCWHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-4-7(3-1)9-5-8-6-10-8/h1-2,7-8H,3-6H2.
What are the key properties of 2-(cyclopent-3-en-1-yloxymethyl)oxirane?
2-(cyclopent-3-en-1-yloxymethyl)oxirane has a molecular weight of 140.18 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopent-3-en-1-yloxymethyl)oxirane is sourced from PubChem (CID 87185073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).