2-nonyl-3-octyloxirane

C19H38O — CID 56936255

IUPAC2-nonyl-3-octyloxirane
SMILESCCCCCCCCCC1OC1CCCCCCCC
InChIInChI=1S/C19H38O/c1-3-5-7-9-11-13-15-17-19-18(20-19)16-14-12-10-8-6-4-2/h18-19H,3-17H2,1-2H3
InChIKeyIDEQNIOEFSEJSA-UHFFFAOYSA-N
MW282.51 g/mol
LogP6.65
Rot. Bonds15

About 2-nonyl-3-octyloxirane

2-nonyl-3-octyloxirane (PubChem CID 56936255) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is 2-nonyl-3-octyloxirane.

Molecular Properties

Compound Name2-nonyl-3-octyloxirane
PubChem CID56936255
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Name2-nonyl-3-octyloxirane
SMILESCCCCCCCCCC1OC1CCCCCCCC
InChIInChI=1S/C19H38O/c1-3-5-7-9-11-13-15-17-19-18(20-19)16-14-12-10-8-6-4-2/h18-19H,3-17H2,1-2H3
InChIKeyIDEQNIOEFSEJSA-UHFFFAOYSA-N
XLogP6.65
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.51
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-octyloxirane?
The IUPAC name of 2-nonyl-3-octyloxirane (CID 56936255) is 2-nonyl-3-octyloxirane.
What is the SMILES notation for 2-nonyl-3-octyloxirane?
The canonical SMILES for 2-nonyl-3-octyloxirane is CCCCCCCCCC1OC1CCCCCCCC.
What is the InChIKey of 2-nonyl-3-octyloxirane?
The InChIKey is IDEQNIOEFSEJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O/c1-3-5-7-9-11-13-15-17-19-18(20-19)16-14-12-10-8-6-4-2/h18-19H,3-17H2,1-2H3.
What are the key properties of 2-nonyl-3-octyloxirane?
2-nonyl-3-octyloxirane has a molecular weight of 282.51 g/mol, XLogP of 6.65, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-3-octyloxirane is sourced from PubChem (CID 56936255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).