2-(3-methylbut-1-ynyl)oxetane

C8H12O — CID 118688794

IUPAC2-(3-methylbut-1-ynyl)oxetane
SMILESCC(C)C#CC1CCO1
InChIInChI=1S/C8H12O/c1-7(2)3-4-8-5-6-9-8/h7-8H,5-6H2,1-2H3
InChIKeyGMSYODIXRBUYIY-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.43
Rot. Bonds

About 2-(3-methylbut-1-ynyl)oxetane

2-(3-methylbut-1-ynyl)oxetane (PubChem CID 118688794) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-(3-methylbut-1-ynyl)oxetane.

Molecular Properties

Compound Name2-(3-methylbut-1-ynyl)oxetane
PubChem CID118688794
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-(3-methylbut-1-ynyl)oxetane
SMILESCC(C)C#CC1CCO1
InChIInChI=1S/C8H12O/c1-7(2)3-4-8-5-6-9-8/h7-8H,5-6H2,1-2H3
InChIKeyGMSYODIXRBUYIY-UHFFFAOYSA-N
XLogP1.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-1-ynyl)oxetane?
The IUPAC name of 2-(3-methylbut-1-ynyl)oxetane (CID 118688794) is 2-(3-methylbut-1-ynyl)oxetane.
What is the SMILES notation for 2-(3-methylbut-1-ynyl)oxetane?
The canonical SMILES for 2-(3-methylbut-1-ynyl)oxetane is CC(C)C#CC1CCO1.
What is the InChIKey of 2-(3-methylbut-1-ynyl)oxetane?
The InChIKey is GMSYODIXRBUYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-7(2)3-4-8-5-6-9-8/h7-8H,5-6H2,1-2H3.
What are the key properties of 2-(3-methylbut-1-ynyl)oxetane?
2-(3-methylbut-1-ynyl)oxetane has a molecular weight of 124.18 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-1-ynyl)oxetane is sourced from PubChem (CID 118688794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).