2,3-dimethyl-2-(3-methylbut-1-ynyl)oxirane

C9H14O — CID 130712502

IUPAC2,3-dimethyl-2-(3-methylbut-1-ynyl)oxirane
SMILESCC(C)C#CC1(C)OC1C
InChIInChI=1S/C9H14O/c1-7(2)5-6-9(4)8(3)10-9/h7-8H,1-4H3
InChIKeyWYUMBBIGEWYPNP-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.82
Rot. Bonds

About 2,3-dimethyl-2-(3-methylbut-1-ynyl)oxirane

2,3-dimethyl-2-(3-methylbut-1-ynyl)oxirane (PubChem CID 130712502) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2,3-dimethyl-2-(3-methylbut-1-ynyl)oxirane.

Molecular Properties

Compound Name2,3-dimethyl-2-(3-methylbut-1-ynyl)oxirane
PubChem CID130712502
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2,3-dimethyl-2-(3-methylbut-1-ynyl)oxirane
SMILESCC(C)C#CC1(C)OC1C
InChIInChI=1S/C9H14O/c1-7(2)5-6-9(4)8(3)10-9/h7-8H,1-4H3
InChIKeyWYUMBBIGEWYPNP-UHFFFAOYSA-N
XLogP1.82
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.82
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 2,3-dimethyl-2-(3-methylbut-1-ynyl)oxirane?
The IUPAC name of 2,3-dimethyl-2-(3-methylbut-1-ynyl)oxirane (CID 130712502) is 2,3-dimethyl-2-(3-methylbut-1-ynyl)oxirane.
What is the SMILES notation for 2,3-dimethyl-2-(3-methylbut-1-ynyl)oxirane?
The canonical SMILES for 2,3-dimethyl-2-(3-methylbut-1-ynyl)oxirane is CC(C)C#CC1(C)OC1C.
What is the InChIKey of 2,3-dimethyl-2-(3-methylbut-1-ynyl)oxirane?
The InChIKey is WYUMBBIGEWYPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-7(2)5-6-9(4)8(3)10-9/h7-8H,1-4H3.
What are the key properties of 2,3-dimethyl-2-(3-methylbut-1-ynyl)oxirane?
2,3-dimethyl-2-(3-methylbut-1-ynyl)oxirane has a molecular weight of 138.21 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-(3-methylbut-1-ynyl)oxirane is sourced from PubChem (CID 130712502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).