(2R)-2-(2,2-dimethylpropyl)oxirane

C7H14O — CID 15053925

IUPAC(2R)-2-(2,2-dimethylpropyl)oxirane
SMILESCC(C)(C)C[C@@H]1CO1
InChIInChI=1S/C7H14O/c1-7(2,3)4-6-5-8-6/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyJFNMDOCPBNQNQR-ZCFIWIBFSA-N
MW114.19 g/mol
LogP1.82
Rot. Bonds1

About (2R)-2-(2,2-dimethylpropyl)oxirane

(2R)-2-(2,2-dimethylpropyl)oxirane (PubChem CID 15053925) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is (2R)-2-(2,2-dimethylpropyl)oxirane.

Molecular Properties

Compound Name(2R)-2-(2,2-dimethylpropyl)oxirane
PubChem CID15053925
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name(2R)-2-(2,2-dimethylpropyl)oxirane
SMILESCC(C)(C)C[C@@H]1CO1
InChIInChI=1S/C7H14O/c1-7(2,3)4-6-5-8-6/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyJFNMDOCPBNQNQR-ZCFIWIBFSA-N
XLogP1.82
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-tert-Butyloxirane
CID 92174
Isobutyloxirane
CID 90990
2-(2,2-Dimethylpropyl)-2-methyloxirane
CID 95410
2-(2,2-Dimethylpropyl)oxirane
CID 545268
(2S)-2-(1,1-Dimethylethyl)oxirane
CID 7005022
(2R)-2-Tert-butyloxirane
CID 6992710
Oxirane, 2-methyl-2-propyl-
CID 520806
2-tert-Butyl-3-methyloxirane
CID 543881
(2R)-2-(2-methylpropyl)oxirane
CID 12301059
5,5-Dimethyl-1-oxaspiro(2.3)hexane
CID 131003005
(2R)-2-methyl-2-propyloxirane
CID 12936857
CID 134864779
CID 134864779

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,2-dimethylpropyl)oxirane?
The IUPAC name of (2R)-2-(2,2-dimethylpropyl)oxirane (CID 15053925) is (2R)-2-(2,2-dimethylpropyl)oxirane.
What is the SMILES notation for (2R)-2-(2,2-dimethylpropyl)oxirane?
The canonical SMILES for (2R)-2-(2,2-dimethylpropyl)oxirane is CC(C)(C)C[C@@H]1CO1.
What is the InChIKey of (2R)-2-(2,2-dimethylpropyl)oxirane?
The InChIKey is JFNMDOCPBNQNQR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14O/c1-7(2,3)4-6-5-8-6/h6H,4-5H2,1-3H3/t6-/m1/s1.
What are the key properties of (2R)-2-(2,2-dimethylpropyl)oxirane?
(2R)-2-(2,2-dimethylpropyl)oxirane has a molecular weight of 114.19 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,2-dimethylpropyl)oxirane is sourced from PubChem (CID 15053925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).