2-[(2-methylpropan-2-yl)oxymethyl]-3-phenyloxirane

C13H18O2 — CID 141414590

IUPAC2-[(2-methylpropan-2-yl)oxymethyl]-3-phenyloxirane
SMILESCC(C)(C)OCC1OC1c1ccccc1
InChIInChI=1S/C13H18O2/c1-13(2,3)14-9-11-12(15-11)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3
InChIKeyLCEVIHHUTBABCN-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.94
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxymethyl]-3-phenyloxirane

2-[(2-methylpropan-2-yl)oxymethyl]-3-phenyloxirane (PubChem CID 141414590) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxymethyl]-3-phenyloxirane.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxymethyl]-3-phenyloxirane
PubChem CID141414590
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-[(2-methylpropan-2-yl)oxymethyl]-3-phenyloxirane
SMILESCC(C)(C)OCC1OC1c1ccccc1
InChIInChI=1S/C13H18O2/c1-13(2,3)14-9-11-12(15-11)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3
InChIKeyLCEVIHHUTBABCN-UHFFFAOYSA-N
XLogP2.94
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.94
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-phenyl-3-(trityloxymethyl)oxirane
CID 23443485
(2S,3S)-2-[2-(2-methoxyethoxy)ethoxymethyl]-3-phenyloxirane
CID 10800794
(2S,3S)-2-[(3,5-dimethylphenoxy)methyl]-3-phenyloxirane
CID 132544349
2-[(2,2-dimethylcyclopropyl)methoxymethyl]-3-phenyloxirane
CID 20591378
(2R,3S)-2-(chloromethyl)-3-phenyloxirane
CID 55301046
[(2R,3S)-3-phenyloxiran-2-yl]methanamine
CID 10964671
(2S,3R)-2-(chloromethyl)-3-phenyloxirane
CID 11052058
(2R,3R,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenyloxolane-3,4-diol
CID 54754367
2-(but-3-ynoxymethyl)-3-phenyloxirane
CID 139260226
2-[(R)-[(4S,5S)-4,5-bis[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine
CID 10810656
2-[(1S)-1-[(4S,5S)-4,5-bis[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-2-yl]ethyl]isoindole-1,3-dione
CID 10835873
ethane;2-(3-phenyloxiran-2-yl)ethanol
CID 143522200

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]-3-phenyloxirane?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]-3-phenyloxirane (CID 141414590) is 2-[(2-methylpropan-2-yl)oxymethyl]-3-phenyloxirane.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxymethyl]-3-phenyloxirane?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxymethyl]-3-phenyloxirane is CC(C)(C)OCC1OC1c1ccccc1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxymethyl]-3-phenyloxirane?
The InChIKey is LCEVIHHUTBABCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(2,3)14-9-11-12(15-11)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxymethyl]-3-phenyloxirane?
2-[(2-methylpropan-2-yl)oxymethyl]-3-phenyloxirane has a molecular weight of 206.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxymethyl]-3-phenyloxirane is sourced from PubChem (CID 141414590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).