2-[(E)-2-ethenyloct-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane

C18H30O2 — CID 58891782

IUPAC2-[(E)-2-ethenyloct-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane
SMILESC=CC(CC/C=C/CC)CC1OC1CCC(C)C1CO1
InChIInChI=1S/C18H30O2/c1-4-6-7-8-9-15(5-2)12-17-16(20-17)11-10-14(3)18-13-19-18/h5-7,14-18H,2,4,8-13H2,1,3H3/b7-6+
InChIKeyILCVJGVZROGGFT-VOTSOKGWSA-N
MW278.44 g/mol
LogP4.51
Rot. Bonds11

About 2-[(E)-2-ethenyloct-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane

2-[(E)-2-ethenyloct-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane (PubChem CID 58891782) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[(E)-2-ethenyloct-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane.

Molecular Properties

Compound Name2-[(E)-2-ethenyloct-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane
PubChem CID58891782
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name2-[(E)-2-ethenyloct-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane
SMILESC=CC(CC/C=C/CC)CC1OC1CCC(C)C1CO1
InChIInChI=1S/C18H30O2/c1-4-6-7-8-9-15(5-2)12-17-16(20-17)11-10-14(3)18-13-19-18/h5-7,14-18H,2,4,8-13H2,1,3H3/b7-6+
InChIKeyILCVJGVZROGGFT-VOTSOKGWSA-N
XLogP4.51
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.51
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'}

Analyze 2-[(E)-2-ethenyloct-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-ethenyloct-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane?
The IUPAC name of 2-[(E)-2-ethenyloct-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane (CID 58891782) is 2-[(E)-2-ethenyloct-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane.
What is the SMILES notation for 2-[(E)-2-ethenyloct-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane?
The canonical SMILES for 2-[(E)-2-ethenyloct-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane is C=CC(CC/C=C/CC)CC1OC1CCC(C)C1CO1.
What is the InChIKey of 2-[(E)-2-ethenyloct-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane?
The InChIKey is ILCVJGVZROGGFT-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H30O2/c1-4-6-7-8-9-15(5-2)12-17-16(20-17)11-10-14(3)18-13-19-18/h5-7,14-18H,2,4,8-13H2,1,3H3/b7-6+.
What are the key properties of 2-[(E)-2-ethenyloct-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane?
2-[(E)-2-ethenyloct-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane has a molecular weight of 278.44 g/mol, XLogP of 4.51, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-ethenyloct-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane is sourced from PubChem (CID 58891782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).