2-methyl-3-propan-2-yloxirane

C6H12O — CID 527855

IUPAC2-methyl-3-propan-2-yloxirane
SMILESCC(C)C1OC1C
InChIInChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3
InChIKeyAYTCGOOJNRZGBU-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.43
Rot. Bonds1

About 2-methyl-3-propan-2-yloxirane

2-methyl-3-propan-2-yloxirane (PubChem CID 527855) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 2-methyl-3-propan-2-yloxirane.

Molecular Properties

Compound Name2-methyl-3-propan-2-yloxirane
PubChem CID527855
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name2-methyl-3-propan-2-yloxirane
SMILESCC(C)C1OC1C
InChIInChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3
InChIKeyAYTCGOOJNRZGBU-UHFFFAOYSA-N
XLogP1.43
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.43
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-methyl-3-propan-2-yloxirane?
The IUPAC name of 2-methyl-3-propan-2-yloxirane (CID 527855) is 2-methyl-3-propan-2-yloxirane.
What is the SMILES notation for 2-methyl-3-propan-2-yloxirane?
The canonical SMILES for 2-methyl-3-propan-2-yloxirane is CC(C)C1OC1C.
What is the InChIKey of 2-methyl-3-propan-2-yloxirane?
The InChIKey is AYTCGOOJNRZGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3.
What are the key properties of 2-methyl-3-propan-2-yloxirane?
2-methyl-3-propan-2-yloxirane has a molecular weight of 100.16 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-yloxirane is sourced from PubChem (CID 527855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).