2-[[2,3,4-tri(propan-2-yl)phenoxy]methyl]oxirane

C18H28O2 — CID 137441560

IUPAC2-[[2,3,4-tri(propan-2-yl)phenoxy]methyl]oxirane
SMILESCC(C)c1ccc(OCC2CO2)c(C(C)C)c1C(C)C
InChIInChI=1S/C18H28O2/c1-11(2)15-7-8-16(20-10-14-9-19-14)18(13(5)6)17(15)12(3)4/h7-8,11-14H,9-10H2,1-6H3
InChIKeyWIMOIYXSXOCURF-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.83
Rot. Bonds6

About 2-[[2,3,4-tri(propan-2-yl)phenoxy]methyl]oxirane

2-[[2,3,4-tri(propan-2-yl)phenoxy]methyl]oxirane (PubChem CID 137441560) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[[2,3,4-tri(propan-2-yl)phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2,3,4-tri(propan-2-yl)phenoxy]methyl]oxirane
PubChem CID137441560
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name2-[[2,3,4-tri(propan-2-yl)phenoxy]methyl]oxirane
SMILESCC(C)c1ccc(OCC2CO2)c(C(C)C)c1C(C)C
InChIInChI=1S/C18H28O2/c1-11(2)15-7-8-16(20-10-14-9-19-14)18(13(5)6)17(15)12(3)4/h7-8,11-14H,9-10H2,1-6H3
InChIKeyWIMOIYXSXOCURF-UHFFFAOYSA-N
XLogP4.83
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.83
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-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-propan-2-ylphenyl]propan-2-yl]-2-propan-2-ylphenoxy]methyl]oxirane
CID 142418463
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 22904212
2-[[4-[1-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane
CID 151987965
2-[[4-[4-(oxiran-2-ylmethoxy)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenoxy]methyl]oxirane
CID 87443194
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane
CID 23044383
2-methylpropane;2-[3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propyl]oxirane;tetrakis(2-(phenoxymethyl)oxirane);2-[(2-propan-2-ylphenoxy)methyl]oxirane
CID 157435462
(2R)-2-[(2-iodophenoxy)methyl]oxirane
CID 57462593
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
2-methyl-3-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropan-1-ol
CID 163607485
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
CID 23069443
CID 23069443

Frequently Asked Questions

What is the IUPAC name of 2-[[2,3,4-tri(propan-2-yl)phenoxy]methyl]oxirane?
The IUPAC name of 2-[[2,3,4-tri(propan-2-yl)phenoxy]methyl]oxirane (CID 137441560) is 2-[[2,3,4-tri(propan-2-yl)phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2,3,4-tri(propan-2-yl)phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2,3,4-tri(propan-2-yl)phenoxy]methyl]oxirane is CC(C)c1ccc(OCC2CO2)c(C(C)C)c1C(C)C.
What is the InChIKey of 2-[[2,3,4-tri(propan-2-yl)phenoxy]methyl]oxirane?
The InChIKey is WIMOIYXSXOCURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-11(2)15-7-8-16(20-10-14-9-19-14)18(13(5)6)17(15)12(3)4/h7-8,11-14H,9-10H2,1-6H3.
What are the key properties of 2-[[2,3,4-tri(propan-2-yl)phenoxy]methyl]oxirane?
2-[[2,3,4-tri(propan-2-yl)phenoxy]methyl]oxirane has a molecular weight of 276.42 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,3,4-tri(propan-2-yl)phenoxy]methyl]oxirane is sourced from PubChem (CID 137441560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).