2-[1-(oxiran-2-yl)pent-4-en-2-yl]-2,3,3-tris(prop-2-enyl)oxirane

C18H26O2 — CID 173429694

IUPAC2-[1-(oxiran-2-yl)pent-4-en-2-yl]-2,3,3-tris(prop-2-enyl)oxirane
SMILESC=CCC(CC1CO1)C1(CC=C)OC1(CC=C)CC=C
InChIInChI=1S/C18H26O2/c1-5-9-15(13-16-14-19-16)18(12-8-4)17(20-18,10-6-2)11-7-3/h5-8,15-16H,1-4,9-14H2
InChIKeyZOZYZHGBEBRJPI-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.20
Rot. Bonds11

About 2-[1-(oxiran-2-yl)pent-4-en-2-yl]-2,3,3-tris(prop-2-enyl)oxirane

2-[1-(oxiran-2-yl)pent-4-en-2-yl]-2,3,3-tris(prop-2-enyl)oxirane (PubChem CID 173429694) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-[1-(oxiran-2-yl)pent-4-en-2-yl]-2,3,3-tris(prop-2-enyl)oxirane.

Molecular Properties

Compound Name2-[1-(oxiran-2-yl)pent-4-en-2-yl]-2,3,3-tris(prop-2-enyl)oxirane
PubChem CID173429694
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name2-[1-(oxiran-2-yl)pent-4-en-2-yl]-2,3,3-tris(prop-2-enyl)oxirane
SMILESC=CCC(CC1CO1)C1(CC=C)OC1(CC=C)CC=C
InChIInChI=1S/C18H26O2/c1-5-9-15(13-16-14-19-16)18(12-8-4)17(20-18,10-6-2)11-7-3/h5-8,15-16H,1-4,9-14H2
InChIKeyZOZYZHGBEBRJPI-UHFFFAOYSA-N
XLogP4.20
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.20
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-[1-(oxiran-2-yl)pent-4-en-2-yl]-2,3,3-tris(prop-2-enyl)oxirane?
The IUPAC name of 2-[1-(oxiran-2-yl)pent-4-en-2-yl]-2,3,3-tris(prop-2-enyl)oxirane (CID 173429694) is 2-[1-(oxiran-2-yl)pent-4-en-2-yl]-2,3,3-tris(prop-2-enyl)oxirane.
What is the SMILES notation for 2-[1-(oxiran-2-yl)pent-4-en-2-yl]-2,3,3-tris(prop-2-enyl)oxirane?
The canonical SMILES for 2-[1-(oxiran-2-yl)pent-4-en-2-yl]-2,3,3-tris(prop-2-enyl)oxirane is C=CCC(CC1CO1)C1(CC=C)OC1(CC=C)CC=C.
What is the InChIKey of 2-[1-(oxiran-2-yl)pent-4-en-2-yl]-2,3,3-tris(prop-2-enyl)oxirane?
The InChIKey is ZOZYZHGBEBRJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-5-9-15(13-16-14-19-16)18(12-8-4)17(20-18,10-6-2)11-7-3/h5-8,15-16H,1-4,9-14H2.
What are the key properties of 2-[1-(oxiran-2-yl)pent-4-en-2-yl]-2,3,3-tris(prop-2-enyl)oxirane?
2-[1-(oxiran-2-yl)pent-4-en-2-yl]-2,3,3-tris(prop-2-enyl)oxirane has a molecular weight of 274.40 g/mol, XLogP of 4.20, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxiran-2-yl)pent-4-en-2-yl]-2,3,3-tris(prop-2-enyl)oxirane is sourced from PubChem (CID 173429694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).