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

C19H32O2 — CID 58891783

IUPAC2-[(E)-2-ethenylnon-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane
SMILESC=CC(CC/C=C/CCC)CC1OC1CCC(C)C1CO1
InChIInChI=1S/C19H32O2/c1-4-6-7-8-9-10-16(5-2)13-18-17(21-18)12-11-15(3)19-14-20-19/h5,7-8,15-19H,2,4,6,9-14H2,1,3H3/b8-7+
InChIKeyYRQHFJQNJHHPOK-BQYQJAHWSA-N
MW292.46 g/mol
LogP4.90
Rot. Bonds12

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

2-[(E)-2-ethenylnon-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane (PubChem CID 58891783) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 2-[(E)-2-ethenylnon-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane.

Molecular Properties

Compound Name2-[(E)-2-ethenylnon-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane
PubChem CID58891783
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name2-[(E)-2-ethenylnon-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane
SMILESC=CC(CC/C=C/CCC)CC1OC1CCC(C)C1CO1
InChIInChI=1S/C19H32O2/c1-4-6-7-8-9-10-16(5-2)13-18-17(21-18)12-11-15(3)19-14-20-19/h5,7-8,15-19H,2,4,6,9-14H2,1,3H3/b8-7+
InChIKeyYRQHFJQNJHHPOK-BQYQJAHWSA-N
XLogP4.90
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.90
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-[(E)-2-ethenylnon-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane?
The IUPAC name of 2-[(E)-2-ethenylnon-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane (CID 58891783) is 2-[(E)-2-ethenylnon-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane.
What is the SMILES notation for 2-[(E)-2-ethenylnon-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane?
The canonical SMILES for 2-[(E)-2-ethenylnon-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane is C=CC(CC/C=C/CCC)CC1OC1CCC(C)C1CO1.
What is the InChIKey of 2-[(E)-2-ethenylnon-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane?
The InChIKey is YRQHFJQNJHHPOK-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H32O2/c1-4-6-7-8-9-10-16(5-2)13-18-17(21-18)12-11-15(3)19-14-20-19/h5,7-8,15-19H,2,4,6,9-14H2,1,3H3/b8-7+.
What are the key properties of 2-[(E)-2-ethenylnon-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane?
2-[(E)-2-ethenylnon-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane has a molecular weight of 292.46 g/mol, XLogP of 4.90, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-ethenylnon-5-enyl]-3-[3-(oxiran-2-yl)butyl]oxirane is sourced from PubChem (CID 58891783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).