2-butyl-2-methyloxirane

C7H14O — CID 10920480

IUPAC2-butyl-2-methyloxirane
SMILESCCCCC1(C)CO1
InChIInChI=1S/C7H14O/c1-3-4-5-7(2)6-8-7/h3-6H2,1-2H3
InChIKeyZTCDEKMURLCFQJ-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.97
Rot. Bonds3

About 2-butyl-2-methyloxirane

2-butyl-2-methyloxirane (PubChem CID 10920480) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 2-butyl-2-methyloxirane.

Molecular Properties

Compound Name2-butyl-2-methyloxirane
PubChem CID10920480
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name2-butyl-2-methyloxirane
SMILESCCCCC1(C)CO1
InChIInChI=1S/C7H14O/c1-3-4-5-7(2)6-8-7/h3-6H2,1-2H3
InChIKeyZTCDEKMURLCFQJ-UHFFFAOYSA-N
XLogP1.97
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.97
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-butyl-2-methyloxirane?
The IUPAC name of 2-butyl-2-methyloxirane (CID 10920480) is 2-butyl-2-methyloxirane.
What is the SMILES notation for 2-butyl-2-methyloxirane?
The canonical SMILES for 2-butyl-2-methyloxirane is CCCCC1(C)CO1.
What is the InChIKey of 2-butyl-2-methyloxirane?
The InChIKey is ZTCDEKMURLCFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-3-4-5-7(2)6-8-7/h3-6H2,1-2H3.
What are the key properties of 2-butyl-2-methyloxirane?
2-butyl-2-methyloxirane has a molecular weight of 114.19 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-methyloxirane is sourced from PubChem (CID 10920480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).