2,3-di(propan-2-yl)oxirane

C8H16O — CID 544571

IUPAC2,3-di(propan-2-yl)oxirane
SMILESCC(C)C1OC1C(C)C
InChIInChI=1S/C8H16O/c1-5(2)7-8(9-7)6(3)4/h5-8H,1-4H3
InChIKeyIKASFLJHSHDRIQ-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.07
Rot. Bonds2

About 2,3-di(propan-2-yl)oxirane

2,3-di(propan-2-yl)oxirane (PubChem CID 544571) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)oxirane.

Molecular Properties

Compound Name2,3-di(propan-2-yl)oxirane
PubChem CID544571
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name2,3-di(propan-2-yl)oxirane
SMILESCC(C)C1OC1C(C)C
InChIInChI=1S/C8H16O/c1-5(2)7-8(9-7)6(3)4/h5-8H,1-4H3
InChIKeyIKASFLJHSHDRIQ-UHFFFAOYSA-N
XLogP2.07
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.07
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 2,3-di(propan-2-yl)oxirane?
The IUPAC name of 2,3-di(propan-2-yl)oxirane (CID 544571) is 2,3-di(propan-2-yl)oxirane.
What is the SMILES notation for 2,3-di(propan-2-yl)oxirane?
The canonical SMILES for 2,3-di(propan-2-yl)oxirane is CC(C)C1OC1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)oxirane?
The InChIKey is IKASFLJHSHDRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-5(2)7-8(9-7)6(3)4/h5-8H,1-4H3.
What are the key properties of 2,3-di(propan-2-yl)oxirane?
2,3-di(propan-2-yl)oxirane has a molecular weight of 128.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)oxirane is sourced from PubChem (CID 544571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).