2-(2,2-dimethylpropoxy)oxirane

C7H14O2 — CID 129074404

IUPAC2-(2,2-dimethylpropoxy)oxirane
SMILESCC(C)(C)COC1CO1
InChIInChI=1S/C7H14O2/c1-7(2,3)5-9-6-4-8-6/h6H,4-5H2,1-3H3
InChIKeyNPYDAINXOUWUTK-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.41
Rot. Bonds2

About 2-(2,2-dimethylpropoxy)oxirane

2-(2,2-dimethylpropoxy)oxirane (PubChem CID 129074404) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-(2,2-dimethylpropoxy)oxirane.

Molecular Properties

Compound Name2-(2,2-dimethylpropoxy)oxirane
PubChem CID129074404
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-(2,2-dimethylpropoxy)oxirane
SMILESCC(C)(C)COC1CO1
InChIInChI=1S/C7H14O2/c1-7(2,3)5-9-6-4-8-6/h6H,4-5H2,1-3H3
InChIKeyNPYDAINXOUWUTK-UHFFFAOYSA-N
XLogP1.41
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2,2-bis(oxiran-2-yloxymethyl)butoxymethyl]oxirane
CID 161499535
(2S)-2-(2-methylpropoxy)oxirane
CID 89027461
(2R)-2-(2-methylpropoxy)oxirane
CID 89027420
2-(2,2-dimethylpropoxy)-3,5-bis[(2-methylpropan-2-yl)oxy]oxan-4-ol
CID 171469941
(2S)-2-(2,2-dimethylpropoxy)azetidine
CID 139527738
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]oxirane
CID 140866657
(2R)-2-(2,2-dimethylpropyl)oxirane
CID 15053925
(3S,3aR,6R,6aR)-6-(2,2-dimethylpropoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 89381496
2-(2-methoxy-2-methylpropyl)oxirane
CID 18626422
1-tert-butyl-3-(2,2-dimethylpropoxy)cyclopentane
CID 168850108
2,5-dimethoxy-1,4-dioxane
CID 12500492
diethoxy-methyl-(oxiran-2-yloxy)silane
CID 175444356

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropoxy)oxirane?
The IUPAC name of 2-(2,2-dimethylpropoxy)oxirane (CID 129074404) is 2-(2,2-dimethylpropoxy)oxirane.
What is the SMILES notation for 2-(2,2-dimethylpropoxy)oxirane?
The canonical SMILES for 2-(2,2-dimethylpropoxy)oxirane is CC(C)(C)COC1CO1.
What is the InChIKey of 2-(2,2-dimethylpropoxy)oxirane?
The InChIKey is NPYDAINXOUWUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-7(2,3)5-9-6-4-8-6/h6H,4-5H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropoxy)oxirane?
2-(2,2-dimethylpropoxy)oxirane has a molecular weight of 130.19 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropoxy)oxirane is sourced from PubChem (CID 129074404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).