2-[bis(2,6-dimethylphenyl)methoxymethyl]oxirane

C20H24O2 — CID 14810466

IUPAC2-[bis(2,6-dimethylphenyl)methoxymethyl]oxirane
SMILESCc1cccc(C)c1C(OCC1CO1)c1c(C)cccc1C
InChIInChI=1S/C20H24O2/c1-13-7-5-8-14(2)18(13)20(22-12-17-11-21-17)19-15(3)9-6-10-16(19)4/h5-10,17,20H,11-12H2,1-4H3
InChIKeyLIJMMZBEUVMNQZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.43
Rot. Bonds5

About 2-[bis(2,6-dimethylphenyl)methoxymethyl]oxirane

2-[bis(2,6-dimethylphenyl)methoxymethyl]oxirane (PubChem CID 14810466) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[bis(2,6-dimethylphenyl)methoxymethyl]oxirane.

Molecular Properties

Compound Name2-[bis(2,6-dimethylphenyl)methoxymethyl]oxirane
PubChem CID14810466
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name2-[bis(2,6-dimethylphenyl)methoxymethyl]oxirane
SMILESCc1cccc(C)c1C(OCC1CO1)c1c(C)cccc1C
InChIInChI=1S/C20H24O2/c1-13-7-5-8-14(2)18(13)20(22-12-17-11-21-17)19-15(3)9-6-10-16(19)4/h5-10,17,20H,11-12H2,1-4H3
InChIKeyLIJMMZBEUVMNQZ-UHFFFAOYSA-N
XLogP4.43
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.43
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

(2R)-2-[[(R)-(2,6-dimethylphenyl)-phenylmethoxy]methyl]oxirane
CID 125496560
2-[[(4-methylphenyl)-phenylmethoxy]methyl]oxirane
CID 3549326
(2R)-2-[[(R)-(4-methylphenyl)-phenylmethoxy]methyl]oxirane
CID 2507782
5-[bis(2,6-dimethylphenyl)methoxymethyl]-2,2-dimethyl-3-propan-2-yl-1,3-oxazolidine
CID 4307907
(2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane
CID 7127515
2-methyl-3-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenol
CID 89046389
(2S)-2-[[(1R)-2,2,2-trifluoro-1-(2-methylphenyl)ethoxy]methyl]oxirane
CID 97179986
4-[(4-hydroxyphenyl)-(oxiran-2-ylmethoxy)methyl]phenol
CID 57092971
2-[[(1R)-1-(2-bromo-3-methylphenyl)butoxy]methyl]oxirane
CID 58572474
(2S)-2-[[(1R)-1-(4-methylphenyl)ethoxy]methyl]oxirane
CID 97180239
2-[1-[4-[2-(oxiran-2-ylmethoxy)butyl]phenyl]butan-2-yloxymethyl]oxirane
CID 174820293
2-[1-[2,3-dimethyl-10-[1-(oxiran-2-ylmethoxy)propyl]anthracen-9-yl]propoxymethyl]oxirane
CID 174717627

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2,6-dimethylphenyl)methoxymethyl]oxirane?
The IUPAC name of 2-[bis(2,6-dimethylphenyl)methoxymethyl]oxirane (CID 14810466) is 2-[bis(2,6-dimethylphenyl)methoxymethyl]oxirane.
What is the SMILES notation for 2-[bis(2,6-dimethylphenyl)methoxymethyl]oxirane?
The canonical SMILES for 2-[bis(2,6-dimethylphenyl)methoxymethyl]oxirane is Cc1cccc(C)c1C(OCC1CO1)c1c(C)cccc1C.
What is the InChIKey of 2-[bis(2,6-dimethylphenyl)methoxymethyl]oxirane?
The InChIKey is LIJMMZBEUVMNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-13-7-5-8-14(2)18(13)20(22-12-17-11-21-17)19-15(3)9-6-10-16(19)4/h5-10,17,20H,11-12H2,1-4H3.
What are the key properties of 2-[bis(2,6-dimethylphenyl)methoxymethyl]oxirane?
2-[bis(2,6-dimethylphenyl)methoxymethyl]oxirane has a molecular weight of 296.41 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2,6-dimethylphenyl)methoxymethyl]oxirane is sourced from PubChem (CID 14810466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).