2-pentan-3-yl-3-propan-2-yloxirane

C10H20O — CID 22934396

IUPAC2-pentan-3-yl-3-propan-2-yloxirane
SMILESCCC(CC)C1OC1C(C)C
InChIInChI=1S/C10H20O/c1-5-8(6-2)10-9(11-10)7(3)4/h7-10H,5-6H2,1-4H3
InChIKeyIXTAGFDWDJBHIJ-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.85
Rot. Bonds4

About 2-pentan-3-yl-3-propan-2-yloxirane

2-pentan-3-yl-3-propan-2-yloxirane (PubChem CID 22934396) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-pentan-3-yl-3-propan-2-yloxirane.

Molecular Properties

Compound Name2-pentan-3-yl-3-propan-2-yloxirane
PubChem CID22934396
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2-pentan-3-yl-3-propan-2-yloxirane
SMILESCCC(CC)C1OC1C(C)C
InChIInChI=1S/C10H20O/c1-5-8(6-2)10-9(11-10)7(3)4/h7-10H,5-6H2,1-4H3
InChIKeyIXTAGFDWDJBHIJ-UHFFFAOYSA-N
XLogP2.85
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-pentan-3-yl-3-propan-2-yloxirane?
The IUPAC name of 2-pentan-3-yl-3-propan-2-yloxirane (CID 22934396) is 2-pentan-3-yl-3-propan-2-yloxirane.
What is the SMILES notation for 2-pentan-3-yl-3-propan-2-yloxirane?
The canonical SMILES for 2-pentan-3-yl-3-propan-2-yloxirane is CCC(CC)C1OC1C(C)C.
What is the InChIKey of 2-pentan-3-yl-3-propan-2-yloxirane?
The InChIKey is IXTAGFDWDJBHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-5-8(6-2)10-9(11-10)7(3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of 2-pentan-3-yl-3-propan-2-yloxirane?
2-pentan-3-yl-3-propan-2-yloxirane has a molecular weight of 156.27 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-3-yl-3-propan-2-yloxirane is sourced from PubChem (CID 22934396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).