2-methyl-2-[(2-methyl-3-phenyloxiran-2-yl)methoxymethyl]-3-phenyloxirane

C20H22O3 — CID 139617656

IUPAC2-methyl-2-[(2-methyl-3-phenyloxiran-2-yl)methoxymethyl]-3-phenyloxirane
SMILESCC1(COCC2(C)OC2c2ccccc2)OC1c1ccccc1
InChIInChI=1S/C20H22O3/c1-19(17(22-19)15-9-5-3-6-10-15)13-21-14-20(2)18(23-20)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3
InChIKeyFSZMPIYSSZNDKB-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.06
Rot. Bonds6

About 2-methyl-2-[(2-methyl-3-phenyloxiran-2-yl)methoxymethyl]-3-phenyloxirane

2-methyl-2-[(2-methyl-3-phenyloxiran-2-yl)methoxymethyl]-3-phenyloxirane (PubChem CID 139617656) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyl-3-phenyloxiran-2-yl)methoxymethyl]-3-phenyloxirane.

Molecular Properties

Compound Name2-methyl-2-[(2-methyl-3-phenyloxiran-2-yl)methoxymethyl]-3-phenyloxirane
PubChem CID139617656
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name2-methyl-2-[(2-methyl-3-phenyloxiran-2-yl)methoxymethyl]-3-phenyloxirane
SMILESCC1(COCC2(C)OC2c2ccccc2)OC1c1ccccc1
InChIInChI=1S/C20H22O3/c1-19(17(22-19)15-9-5-3-6-10-15)13-21-14-20(2)18(23-20)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3
InChIKeyFSZMPIYSSZNDKB-UHFFFAOYSA-N
XLogP4.06
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol
CID 146013976
[(2R,3S)-2-methyl-3-phenyloxiran-2-yl]methyl 2,2,2-trichloroethanimidate
CID 10518914
(2R,3R)-2-methyl-2,3-diphenyloxirane
CID 11031103
2-[dibromo-[dibromo-(2-methyl-3-phenyloxiran-2-yl)methoxy]methyl]-2-methyl-3-phenyloxirane
CID 134607099
2-ethenyl-2-methyl-3-phenyloxirane
CID 12508185
[(2S,3R)-3-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 121000774
(2R,3R)-2-ethyl-2,3-diphenyloxirane
CID 45095524
(4S,5S)-2-methoxy-2-methyl-4,5-diphenyl-1,3-dioxolane
CID 14972315
(3R)-3-phenyl-2,2-bis(trifluoromethyl)oxirane
CID 101101880
(5R)-2-(chloromethyl)-4,4-dimethyl-5-phenyl-1,3,2-dioxaborolane
CID 15828376
(2R,3S)-2-methyl-3-phenyloxirane-2-carboxamide
CID 11240789
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyl-3-phenyloxiran-2-yl)methoxymethyl]-3-phenyloxirane?
The IUPAC name of 2-methyl-2-[(2-methyl-3-phenyloxiran-2-yl)methoxymethyl]-3-phenyloxirane (CID 139617656) is 2-methyl-2-[(2-methyl-3-phenyloxiran-2-yl)methoxymethyl]-3-phenyloxirane.
What is the SMILES notation for 2-methyl-2-[(2-methyl-3-phenyloxiran-2-yl)methoxymethyl]-3-phenyloxirane?
The canonical SMILES for 2-methyl-2-[(2-methyl-3-phenyloxiran-2-yl)methoxymethyl]-3-phenyloxirane is CC1(COCC2(C)OC2c2ccccc2)OC1c1ccccc1.
What is the InChIKey of 2-methyl-2-[(2-methyl-3-phenyloxiran-2-yl)methoxymethyl]-3-phenyloxirane?
The InChIKey is FSZMPIYSSZNDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-19(17(22-19)15-9-5-3-6-10-15)13-21-14-20(2)18(23-20)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3.
What are the key properties of 2-methyl-2-[(2-methyl-3-phenyloxiran-2-yl)methoxymethyl]-3-phenyloxirane?
2-methyl-2-[(2-methyl-3-phenyloxiran-2-yl)methoxymethyl]-3-phenyloxirane has a molecular weight of 310.39 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyl-3-phenyloxiran-2-yl)methoxymethyl]-3-phenyloxirane is sourced from PubChem (CID 139617656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).