2-nonyl-3-oct-7-enyloxirane

C19H36O — CID 57481007

IUPAC2-nonyl-3-oct-7-enyloxirane
SMILESC=CCCCCCCC1OC1CCCCCCCCC
InChIInChI=1S/C19H36O/c1-3-5-7-9-11-13-15-17-19-18(20-19)16-14-12-10-8-6-4-2/h4,18-19H,2-3,5-17H2,1H3
InChIKeyVZOOHUVLBQDNOP-UHFFFAOYSA-N
MW280.50 g/mol
LogP6.42
Rot. Bonds15

About 2-nonyl-3-oct-7-enyloxirane

2-nonyl-3-oct-7-enyloxirane (PubChem CID 57481007) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-nonyl-3-oct-7-enyloxirane.

Molecular Properties

Compound Name2-nonyl-3-oct-7-enyloxirane
PubChem CID57481007
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name2-nonyl-3-oct-7-enyloxirane
SMILESC=CCCCCCCC1OC1CCCCCCCCC
InChIInChI=1S/C19H36O/c1-3-5-7-9-11-13-15-17-19-18(20-19)16-14-12-10-8-6-4-2/h4,18-19H,2-3,5-17H2,1H3
InChIKeyVZOOHUVLBQDNOP-UHFFFAOYSA-N
XLogP6.42
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.42
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-nonyl-3-oct-7-enyloxirane?
The IUPAC name of 2-nonyl-3-oct-7-enyloxirane (CID 57481007) is 2-nonyl-3-oct-7-enyloxirane.
What is the SMILES notation for 2-nonyl-3-oct-7-enyloxirane?
The canonical SMILES for 2-nonyl-3-oct-7-enyloxirane is C=CCCCCCCC1OC1CCCCCCCCC.
What is the InChIKey of 2-nonyl-3-oct-7-enyloxirane?
The InChIKey is VZOOHUVLBQDNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-3-5-7-9-11-13-15-17-19-18(20-19)16-14-12-10-8-6-4-2/h4,18-19H,2-3,5-17H2,1H3.
What are the key properties of 2-nonyl-3-oct-7-enyloxirane?
2-nonyl-3-oct-7-enyloxirane has a molecular weight of 280.50 g/mol, XLogP of 6.42, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-3-oct-7-enyloxirane is sourced from PubChem (CID 57481007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).