2-(2,2-dimethylbut-3-enyl)-2-methyloxirane

C9H16O — CID 22712645

IUPAC2-(2,2-dimethylbut-3-enyl)-2-methyloxirane
SMILESC=CC(C)(C)CC1(C)CO1
InChIInChI=1S/C9H16O/c1-5-8(2,3)6-9(4)7-10-9/h5H,1,6-7H2,2-4H3
InChIKeyTXJAXKRLOONKRF-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds3

About 2-(2,2-dimethylbut-3-enyl)-2-methyloxirane

2-(2,2-dimethylbut-3-enyl)-2-methyloxirane (PubChem CID 22712645) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-(2,2-dimethylbut-3-enyl)-2-methyloxirane.

Molecular Properties

Compound Name2-(2,2-dimethylbut-3-enyl)-2-methyloxirane
PubChem CID22712645
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-(2,2-dimethylbut-3-enyl)-2-methyloxirane
SMILESC=CC(C)(C)CC1(C)CO1
InChIInChI=1S/C9H16O/c1-5-8(2,3)6-9(4)7-10-9/h5H,1,6-7H2,2-4H3
InChIKeyTXJAXKRLOONKRF-UHFFFAOYSA-N
XLogP2.38
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbut-3-enyl)-2-methyloxirane?
The IUPAC name of 2-(2,2-dimethylbut-3-enyl)-2-methyloxirane (CID 22712645) is 2-(2,2-dimethylbut-3-enyl)-2-methyloxirane.
What is the SMILES notation for 2-(2,2-dimethylbut-3-enyl)-2-methyloxirane?
The canonical SMILES for 2-(2,2-dimethylbut-3-enyl)-2-methyloxirane is C=CC(C)(C)CC1(C)CO1.
What is the InChIKey of 2-(2,2-dimethylbut-3-enyl)-2-methyloxirane?
The InChIKey is TXJAXKRLOONKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-5-8(2,3)6-9(4)7-10-9/h5H,1,6-7H2,2-4H3.
What are the key properties of 2-(2,2-dimethylbut-3-enyl)-2-methyloxirane?
2-(2,2-dimethylbut-3-enyl)-2-methyloxirane has a molecular weight of 140.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbut-3-enyl)-2-methyloxirane is sourced from PubChem (CID 22712645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).