2-(2-methyl-1-phenoxybutan-2-yl)oxirane

C13H18O2 — CID 141209391

IUPAC2-(2-methyl-1-phenoxybutan-2-yl)oxirane
SMILESCCC(C)(COc1ccccc1)C1CO1
InChIInChI=1S/C13H18O2/c1-3-13(2,12-9-14-12)10-15-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3
InChIKeyMHRXBZKZNNKBAN-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.88
Rot. Bonds5

About 2-(2-methyl-1-phenoxybutan-2-yl)oxirane

2-(2-methyl-1-phenoxybutan-2-yl)oxirane (PubChem CID 141209391) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(2-methyl-1-phenoxybutan-2-yl)oxirane.

Molecular Properties

Compound Name2-(2-methyl-1-phenoxybutan-2-yl)oxirane
PubChem CID141209391
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name2-(2-methyl-1-phenoxybutan-2-yl)oxirane
SMILESCCC(C)(COc1ccccc1)C1CO1
InChIInChI=1S/C13H18O2/c1-3-13(2,12-9-14-12)10-15-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3
InChIKeyMHRXBZKZNNKBAN-UHFFFAOYSA-N
XLogP2.88
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.88
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

ethoxybenzene;2-ethyloxirane
CID 160565923
2-methyl-2-(phenoxymethyl)butan-1-ol
CID 86182983
2,2-bis(oxiran-2-yl)propyl diphenyl borate
CID 57010200
2,2-difluoropropoxybenzene
CID 10997493
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
(2S)-2-(2-methyl-1-phenylmethoxypropan-2-yl)oxirane
CID 11020033
2-methyl-1-(2-phenoxyethoxy)butan-2-amine
CID 64573594
1,1'-biphenyl;2-(phenoxymethyl)oxirane;propane
CID 90797707
2,2,4,4-tetramethylpentoxybenzene
CID 70425921
(3-methoxy-2,2-dimethylpropoxy)benzene
CID 141306670
bis(1,4-diethylbenzene);tris(2-(phenoxymethyl)oxirane)
CID 158955106

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-phenoxybutan-2-yl)oxirane?
The IUPAC name of 2-(2-methyl-1-phenoxybutan-2-yl)oxirane (CID 141209391) is 2-(2-methyl-1-phenoxybutan-2-yl)oxirane.
What is the SMILES notation for 2-(2-methyl-1-phenoxybutan-2-yl)oxirane?
The canonical SMILES for 2-(2-methyl-1-phenoxybutan-2-yl)oxirane is CCC(C)(COc1ccccc1)C1CO1.
What is the InChIKey of 2-(2-methyl-1-phenoxybutan-2-yl)oxirane?
The InChIKey is MHRXBZKZNNKBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-13(2,12-9-14-12)10-15-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3.
What are the key properties of 2-(2-methyl-1-phenoxybutan-2-yl)oxirane?
2-(2-methyl-1-phenoxybutan-2-yl)oxirane has a molecular weight of 206.29 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-phenoxybutan-2-yl)oxirane is sourced from PubChem (CID 141209391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).