2-but-1-ynyl-2-methyloxirane

C7H10O — CID 10582755

IUPAC2-but-1-ynyl-2-methyloxirane
SMILESCCC#CC1(C)CO1
InChIInChI=1S/C7H10O/c1-3-4-5-7(2)6-8-7/h3,6H2,1-2H3
InChIKeyOALXZVYASZXWPY-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.19
Rot. Bonds

About 2-but-1-ynyl-2-methyloxirane

2-but-1-ynyl-2-methyloxirane (PubChem CID 10582755) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-but-1-ynyl-2-methyloxirane.

Molecular Properties

Compound Name2-but-1-ynyl-2-methyloxirane
PubChem CID10582755
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name2-but-1-ynyl-2-methyloxirane
SMILESCCC#CC1(C)CO1
InChIInChI=1S/C7H10O/c1-3-4-5-7(2)6-8-7/h3,6H2,1-2H3
InChIKeyOALXZVYASZXWPY-UHFFFAOYSA-N
XLogP1.19
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-1-ynyl-2-methyloxirane?
The IUPAC name of 2-but-1-ynyl-2-methyloxirane (CID 10582755) is 2-but-1-ynyl-2-methyloxirane.
What is the SMILES notation for 2-but-1-ynyl-2-methyloxirane?
The canonical SMILES for 2-but-1-ynyl-2-methyloxirane is CCC#CC1(C)CO1.
What is the InChIKey of 2-but-1-ynyl-2-methyloxirane?
The InChIKey is OALXZVYASZXWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-3-4-5-7(2)6-8-7/h3,6H2,1-2H3.
What are the key properties of 2-but-1-ynyl-2-methyloxirane?
2-but-1-ynyl-2-methyloxirane has a molecular weight of 110.16 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-ynyl-2-methyloxirane is sourced from PubChem (CID 10582755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).