2-[2-(oxiran-2-ylmethyl)pent-3-enyl]oxirane

C10H16O2 — CID 173066288

IUPAC2-[2-(oxiran-2-ylmethyl)pent-3-enyl]oxirane
SMILESCC=CC(CC1CO1)CC1CO1
InChIInChI=1S/C10H16O2/c1-2-3-8(4-9-6-11-9)5-10-7-12-10/h2-3,8-10H,4-7H2,1H3
InChIKeyAGYQUDVAPULIPV-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.76
Rot. Bonds5

About 2-[2-(oxiran-2-ylmethyl)pent-3-enyl]oxirane

2-[2-(oxiran-2-ylmethyl)pent-3-enyl]oxirane (PubChem CID 173066288) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[2-(oxiran-2-ylmethyl)pent-3-enyl]oxirane.

Molecular Properties

Compound Name2-[2-(oxiran-2-ylmethyl)pent-3-enyl]oxirane
PubChem CID173066288
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-[2-(oxiran-2-ylmethyl)pent-3-enyl]oxirane
SMILESCC=CC(CC1CO1)CC1CO1
InChIInChI=1S/C10H16O2/c1-2-3-8(4-9-6-11-9)5-10-7-12-10/h2-3,8-10H,4-7H2,1H3
InChIKeyAGYQUDVAPULIPV-UHFFFAOYSA-N
XLogP1.76
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.76
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-[2-(oxiran-2-ylmethyl)pent-3-enyl]oxirane?
The IUPAC name of 2-[2-(oxiran-2-ylmethyl)pent-3-enyl]oxirane (CID 173066288) is 2-[2-(oxiran-2-ylmethyl)pent-3-enyl]oxirane.
What is the SMILES notation for 2-[2-(oxiran-2-ylmethyl)pent-3-enyl]oxirane?
The canonical SMILES for 2-[2-(oxiran-2-ylmethyl)pent-3-enyl]oxirane is CC=CC(CC1CO1)CC1CO1.
What is the InChIKey of 2-[2-(oxiran-2-ylmethyl)pent-3-enyl]oxirane?
The InChIKey is AGYQUDVAPULIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-8(4-9-6-11-9)5-10-7-12-10/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 2-[2-(oxiran-2-ylmethyl)pent-3-enyl]oxirane?
2-[2-(oxiran-2-ylmethyl)pent-3-enyl]oxirane has a molecular weight of 168.24 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxiran-2-ylmethyl)pent-3-enyl]oxirane is sourced from PubChem (CID 173066288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).