2-pentyl-3-propyloxirane

C10H20O — CID 529173

IUPAC2-pentyl-3-propyloxirane
SMILESCCCCCC1OC1CCC
InChIInChI=1S/C10H20O/c1-3-5-6-8-10-9(11-10)7-4-2/h9-10H,3-8H2,1-2H3
InChIKeyPBWRJLOZBHQWOU-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.13
Rot. Bonds6

About 2-pentyl-3-propyloxirane

2-pentyl-3-propyloxirane (PubChem CID 529173) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-pentyl-3-propyloxirane.

Molecular Properties

Compound Name2-pentyl-3-propyloxirane
PubChem CID529173
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2-pentyl-3-propyloxirane
SMILESCCCCCC1OC1CCC
InChIInChI=1S/C10H20O/c1-3-5-6-8-10-9(11-10)7-4-2/h9-10H,3-8H2,1-2H3
InChIKeyPBWRJLOZBHQWOU-UHFFFAOYSA-N
XLogP3.13
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.13
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-pentyl-3-propyloxirane?
The IUPAC name of 2-pentyl-3-propyloxirane (CID 529173) is 2-pentyl-3-propyloxirane.
What is the SMILES notation for 2-pentyl-3-propyloxirane?
The canonical SMILES for 2-pentyl-3-propyloxirane is CCCCCC1OC1CCC.
What is the InChIKey of 2-pentyl-3-propyloxirane?
The InChIKey is PBWRJLOZBHQWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-3-5-6-8-10-9(11-10)7-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-pentyl-3-propyloxirane?
2-pentyl-3-propyloxirane has a molecular weight of 156.27 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-3-propyloxirane is sourced from PubChem (CID 529173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).