2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,4,5-tetratert-butyl-6-(2-hydroxyphenyl)phenol

C34H52O5 — CID 174988323

IUPAC2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,4,5-tetratert-butyl-6-(2-hydroxyphenyl)phenol
SMILESC(OCC1CO1)C1CO1.CC(C)(C)c1c(O)c(-c2ccccc2O)c(C(C)(C)C)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C28H42O2.C6H10O3/c1-25(2,3)20-19(17-15-13-14-16-18(17)29)24(30)23(28(10,11)12)22(27(7,8)9)21(20)26(4,5)6;1(5-3-8-5)7-2-6-4-9-6/h13-16,29-30H,1-12H3;5-6H,1-4H2
InChIKeyDJYWCSOCOMXOIM-UHFFFAOYSA-N
MW540.79 g/mol
LogP7.76
Rot. Bonds5

About 2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,4,5-tetratert-butyl-6-(2-hydroxyphenyl)phenol

2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,4,5-tetratert-butyl-6-(2-hydroxyphenyl)phenol (PubChem CID 174988323) has the molecular formula C34H52O5 and a molecular weight of 540.79 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,4,5-tetratert-butyl-6-(2-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,4,5-tetratert-butyl-6-(2-hydroxyphenyl)phenol
PubChem CID174988323
Molecular FormulaC34H52O5
Molecular Weight540.79 g/mol
Exact Mass540.38
IUPAC Name2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,4,5-tetratert-butyl-6-(2-hydroxyphenyl)phenol
SMILESC(OCC1CO1)C1CO1.CC(C)(C)c1c(O)c(-c2ccccc2O)c(C(C)(C)C)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C28H42O2.C6H10O3/c1-25(2,3)20-19(17-15-13-14-16-18(17)29)24(30)23(28(10,11)12)22(27(7,8)9)21(20)26(4,5)6;1(5-3-8-5)7-2-6-4-9-6/h13-16,29-30H,1-12H3;5-6H,1-4H2
InChIKeyDJYWCSOCOMXOIM-UHFFFAOYSA-N
XLogP7.76
TPSA74.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.79
LogP ≤ 57.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9H-fluorene;2-methylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174796639
2-(2-hydroxyphenyl)-3,3,5,5-tetramethylcyclohexen-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175107460
benzene;2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174448667
bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158653156
2-[4-(2-hydroxyphenyl)phenyl]-3-phenyl-4-(trifluoromethyl)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175012278
4-(4-hydroxy-2,3-dimethylphenyl)-2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 146291909
oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol
CID 87608532
2-(oxiran-2-ylmethoxymethyl)oxirane;2-[2,2,2-tris(2-hydroxyphenyl)ethyl]phenol
CID 155195839
1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87260520
2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,5-trimethylbenzene-1,4-diol
CID 22457219
4-(3,5-diethyl-4-hydroxyphenyl)-2,6-diethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87268723
2-(oxiran-2-ylmethoxymethyl)oxirane;2-prop-2-enylphenol
CID 19736108

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,4,5-tetratert-butyl-6-(2-hydroxyphenyl)phenol?
The IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,4,5-tetratert-butyl-6-(2-hydroxyphenyl)phenol (CID 174988323) is 2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,4,5-tetratert-butyl-6-(2-hydroxyphenyl)phenol.
What is the SMILES notation for 2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,4,5-tetratert-butyl-6-(2-hydroxyphenyl)phenol?
The canonical SMILES for 2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,4,5-tetratert-butyl-6-(2-hydroxyphenyl)phenol is C(OCC1CO1)C1CO1.CC(C)(C)c1c(O)c(-c2ccccc2O)c(C(C)(C)C)c(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of 2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,4,5-tetratert-butyl-6-(2-hydroxyphenyl)phenol?
The InChIKey is DJYWCSOCOMXOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O2.C6H10O3/c1-25(2,3)20-19(17-15-13-14-16-18(17)29)24(30)23(28(10,11)12)22(27(7,8)9)21(20)26(4,5)6;1(5-3-8-5)7-2-6-4-9-6/h13-16,29-30H,1-12H3;5-6H,1-4H2.
What are the key properties of 2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,4,5-tetratert-butyl-6-(2-hydroxyphenyl)phenol?
2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,4,5-tetratert-butyl-6-(2-hydroxyphenyl)phenol has a molecular weight of 540.79 g/mol, XLogP of 7.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,4,5-tetratert-butyl-6-(2-hydroxyphenyl)phenol is sourced from PubChem (CID 174988323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).