2-methyl-3-[2-(oxiran-2-yl)butyl]oxirane

C9H16O2 — CID 89276641

IUPAC2-methyl-3-[2-(oxiran-2-yl)butyl]oxirane
SMILESCCC(CC1OC1C)C1CO1
InChIInChI=1S/C9H16O2/c1-3-7(9-5-10-9)4-8-6(2)11-8/h6-9H,3-5H2,1-2H3
InChIKeyYOLFGFMYIJJHQC-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.59
Rot. Bonds4

About 2-methyl-3-[2-(oxiran-2-yl)butyl]oxirane

2-methyl-3-[2-(oxiran-2-yl)butyl]oxirane (PubChem CID 89276641) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-methyl-3-[2-(oxiran-2-yl)butyl]oxirane.

Molecular Properties

Compound Name2-methyl-3-[2-(oxiran-2-yl)butyl]oxirane
PubChem CID89276641
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-methyl-3-[2-(oxiran-2-yl)butyl]oxirane
SMILESCCC(CC1OC1C)C1CO1
InChIInChI=1S/C9H16O2/c1-3-7(9-5-10-9)4-8-6(2)11-8/h6-9H,3-5H2,1-2H3
InChIKeyYOLFGFMYIJJHQC-UHFFFAOYSA-N
XLogP1.59
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(oxiran-2-yl)butyl]oxirane?
The IUPAC name of 2-methyl-3-[2-(oxiran-2-yl)butyl]oxirane (CID 89276641) is 2-methyl-3-[2-(oxiran-2-yl)butyl]oxirane.
What is the SMILES notation for 2-methyl-3-[2-(oxiran-2-yl)butyl]oxirane?
The canonical SMILES for 2-methyl-3-[2-(oxiran-2-yl)butyl]oxirane is CCC(CC1OC1C)C1CO1.
What is the InChIKey of 2-methyl-3-[2-(oxiran-2-yl)butyl]oxirane?
The InChIKey is YOLFGFMYIJJHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-7(9-5-10-9)4-8-6(2)11-8/h6-9H,3-5H2,1-2H3.
What are the key properties of 2-methyl-3-[2-(oxiran-2-yl)butyl]oxirane?
2-methyl-3-[2-(oxiran-2-yl)butyl]oxirane has a molecular weight of 156.22 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(oxiran-2-yl)butyl]oxirane is sourced from PubChem (CID 89276641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).