(2R,3E)-2-tert-butyl-3-(2,2-dimethylpropylidene)oxirane

C11H20O — CID 162399807

IUPAC(2R,3E)-2-tert-butyl-3-(2,2-dimethylpropylidene)oxirane
SMILESCC(C)(C)/C=C1/O[C@@H]1C(C)(C)C
InChIInChI=1S/C11H20O/c1-10(2,3)7-8-9(12-8)11(4,5)6/h7,9H,1-6H3/b8-7+/t9-/m0/s1
InChIKeyYWJMPVJFSKLATO-FLOXNTQESA-N
MW168.28 g/mol
LogP3.36
Rot. Bonds

About (2R,3E)-2-tert-butyl-3-(2,2-dimethylpropylidene)oxirane

(2R,3E)-2-tert-butyl-3-(2,2-dimethylpropylidene)oxirane (PubChem CID 162399807) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (2R,3E)-2-tert-butyl-3-(2,2-dimethylpropylidene)oxirane.

Molecular Properties

Compound Name(2R,3E)-2-tert-butyl-3-(2,2-dimethylpropylidene)oxirane
PubChem CID162399807
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(2R,3E)-2-tert-butyl-3-(2,2-dimethylpropylidene)oxirane
SMILESCC(C)(C)/C=C1/O[C@@H]1C(C)(C)C
InChIInChI=1S/C11H20O/c1-10(2,3)7-8-9(12-8)11(4,5)6/h7,9H,1-6H3/b8-7+/t9-/m0/s1
InChIKeyYWJMPVJFSKLATO-FLOXNTQESA-N
XLogP3.36
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,3E)-2-tert-butyl-3-(2,2-dimethylpropylidene)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3E)-2-tert-butyl-3-(2,2-dimethylpropylidene)oxirane?
The IUPAC name of (2R,3E)-2-tert-butyl-3-(2,2-dimethylpropylidene)oxirane (CID 162399807) is (2R,3E)-2-tert-butyl-3-(2,2-dimethylpropylidene)oxirane.
What is the SMILES notation for (2R,3E)-2-tert-butyl-3-(2,2-dimethylpropylidene)oxirane?
The canonical SMILES for (2R,3E)-2-tert-butyl-3-(2,2-dimethylpropylidene)oxirane is CC(C)(C)/C=C1/O[C@@H]1C(C)(C)C.
What is the InChIKey of (2R,3E)-2-tert-butyl-3-(2,2-dimethylpropylidene)oxirane?
The InChIKey is YWJMPVJFSKLATO-FLOXNTQESA-N. The full InChI is InChI=1S/C11H20O/c1-10(2,3)7-8-9(12-8)11(4,5)6/h7,9H,1-6H3/b8-7+/t9-/m0/s1.
What are the key properties of (2R,3E)-2-tert-butyl-3-(2,2-dimethylpropylidene)oxirane?
(2R,3E)-2-tert-butyl-3-(2,2-dimethylpropylidene)oxirane has a molecular weight of 168.28 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3E)-2-tert-butyl-3-(2,2-dimethylpropylidene)oxirane is sourced from PubChem (CID 162399807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).