2-ethenyl-2-nonyloxirane

C13H24O — CID 11148283

IUPAC2-ethenyl-2-nonyloxirane
SMILESC=CC1(CCCCCCCCC)CO1
InChIInChI=1S/C13H24O/c1-3-5-6-7-8-9-10-11-13(4-2)12-14-13/h4H,2-3,5-12H2,1H3
InChIKeyCAZSTCISTKJAMH-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.08
Rot. Bonds9

About 2-ethenyl-2-nonyloxirane

2-ethenyl-2-nonyloxirane (PubChem CID 11148283) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2-ethenyl-2-nonyloxirane.

Molecular Properties

Compound Name2-ethenyl-2-nonyloxirane
PubChem CID11148283
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2-ethenyl-2-nonyloxirane
SMILESC=CC1(CCCCCCCCC)CO1
InChIInChI=1S/C13H24O/c1-3-5-6-7-8-9-10-11-13(4-2)12-14-13/h4H,2-3,5-12H2,1H3
InChIKeyCAZSTCISTKJAMH-UHFFFAOYSA-N
XLogP4.08
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-ethenyl-2-nonyloxirane?
The IUPAC name of 2-ethenyl-2-nonyloxirane (CID 11148283) is 2-ethenyl-2-nonyloxirane.
What is the SMILES notation for 2-ethenyl-2-nonyloxirane?
The canonical SMILES for 2-ethenyl-2-nonyloxirane is C=CC1(CCCCCCCCC)CO1.
What is the InChIKey of 2-ethenyl-2-nonyloxirane?
The InChIKey is CAZSTCISTKJAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-3-5-6-7-8-9-10-11-13(4-2)12-14-13/h4H,2-3,5-12H2,1H3.
What are the key properties of 2-ethenyl-2-nonyloxirane?
2-ethenyl-2-nonyloxirane has a molecular weight of 196.33 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-nonyloxirane is sourced from PubChem (CID 11148283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).