ethane;2,2,3-trimethyl-3-(3-methylbut-2-en-2-yl)oxirane

C12H24O — CID 91155325

IUPACethane;2,2,3-trimethyl-3-(3-methylbut-2-en-2-yl)oxirane
SMILESCC.CC(C)=C(C)C1(C)OC1(C)C
InChIInChI=1S/C10H18O.C2H6/c1-7(2)8(3)10(6)9(4,5)11-10;1-2/h1-6H3;1-2H3
InChIKeyAKZHYHCFQYEORA-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.94
Rot. Bonds1

About ethane;2,2,3-trimethyl-3-(3-methylbut-2-en-2-yl)oxirane

ethane;2,2,3-trimethyl-3-(3-methylbut-2-en-2-yl)oxirane (PubChem CID 91155325) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is ethane;2,2,3-trimethyl-3-(3-methylbut-2-en-2-yl)oxirane.

Molecular Properties

Compound Nameethane;2,2,3-trimethyl-3-(3-methylbut-2-en-2-yl)oxirane
PubChem CID91155325
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Nameethane;2,2,3-trimethyl-3-(3-methylbut-2-en-2-yl)oxirane
SMILESCC.CC(C)=C(C)C1(C)OC1(C)C
InChIInChI=1S/C10H18O.C2H6/c1-7(2)8(3)10(6)9(4,5)11-10;1-2/h1-6H3;1-2H3
InChIKeyAKZHYHCFQYEORA-UHFFFAOYSA-N
XLogP3.94
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.94
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'}

Analyze ethane;2,2,3-trimethyl-3-(3-methylbut-2-en-2-yl)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 ethane;2,2,3-trimethyl-3-(3-methylbut-2-en-2-yl)oxirane?
The IUPAC name of ethane;2,2,3-trimethyl-3-(3-methylbut-2-en-2-yl)oxirane (CID 91155325) is ethane;2,2,3-trimethyl-3-(3-methylbut-2-en-2-yl)oxirane.
What is the SMILES notation for ethane;2,2,3-trimethyl-3-(3-methylbut-2-en-2-yl)oxirane?
The canonical SMILES for ethane;2,2,3-trimethyl-3-(3-methylbut-2-en-2-yl)oxirane is CC.CC(C)=C(C)C1(C)OC1(C)C.
What is the InChIKey of ethane;2,2,3-trimethyl-3-(3-methylbut-2-en-2-yl)oxirane?
The InChIKey is AKZHYHCFQYEORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O.C2H6/c1-7(2)8(3)10(6)9(4,5)11-10;1-2/h1-6H3;1-2H3.
What are the key properties of ethane;2,2,3-trimethyl-3-(3-methylbut-2-en-2-yl)oxirane?
ethane;2,2,3-trimethyl-3-(3-methylbut-2-en-2-yl)oxirane has a molecular weight of 184.32 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,3-trimethyl-3-(3-methylbut-2-en-2-yl)oxirane is sourced from PubChem (CID 91155325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).