2-(2-methyl-3-propylperoxybutyl)oxirane

C10H20O3 — CID 175273496

IUPAC2-(2-methyl-3-propylperoxybutyl)oxirane
SMILESCCCOOC(C)C(C)CC1CO1
InChIInChI=1S/C10H20O3/c1-4-5-12-13-9(3)8(2)6-10-7-11-10/h8-10H,4-7H2,1-3H3
InChIKeyGYFNEKZFJAXQAO-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.16
Rot. Bonds7

About 2-(2-methyl-3-propylperoxybutyl)oxirane

2-(2-methyl-3-propylperoxybutyl)oxirane (PubChem CID 175273496) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(2-methyl-3-propylperoxybutyl)oxirane.

Molecular Properties

Compound Name2-(2-methyl-3-propylperoxybutyl)oxirane
PubChem CID175273496
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-(2-methyl-3-propylperoxybutyl)oxirane
SMILESCCCOOC(C)C(C)CC1CO1
InChIInChI=1S/C10H20O3/c1-4-5-12-13-9(3)8(2)6-10-7-11-10/h8-10H,4-7H2,1-3H3
InChIKeyGYFNEKZFJAXQAO-UHFFFAOYSA-N
XLogP2.16
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', '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-(2-methyl-3-propylperoxybutyl)oxirane?
The IUPAC name of 2-(2-methyl-3-propylperoxybutyl)oxirane (CID 175273496) is 2-(2-methyl-3-propylperoxybutyl)oxirane.
What is the SMILES notation for 2-(2-methyl-3-propylperoxybutyl)oxirane?
The canonical SMILES for 2-(2-methyl-3-propylperoxybutyl)oxirane is CCCOOC(C)C(C)CC1CO1.
What is the InChIKey of 2-(2-methyl-3-propylperoxybutyl)oxirane?
The InChIKey is GYFNEKZFJAXQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-5-12-13-9(3)8(2)6-10-7-11-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-(2-methyl-3-propylperoxybutyl)oxirane?
2-(2-methyl-3-propylperoxybutyl)oxirane has a molecular weight of 188.27 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-propylperoxybutyl)oxirane is sourced from PubChem (CID 175273496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).