2-[[4-methyl-2-[2-methyl-1-[5-methyl-3-[2-methyl-1-[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane

C38H48O6 — CID 156863408

IUPAC2-[[4-methyl-2-[2-methyl-1-[5-methyl-3-[2-methyl-1-[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
SMILESCc1ccc(OCC2CO2)c(CC(C)(C)c2cc(C)cc(CC(C)(C)c3cc(C)ccc3OCC3CO3)c2OCC2CO2)c1
InChIInChI=1S/C38H48O6/c1-24-8-10-34(42-21-29-18-39-29)27(12-24)16-38(6,7)33-15-26(3)13-28(36(33)44-23-31-20-41-31)17-37(4,5)32-14-25(2)9-11-35(32)43-22-30-19-40-30/h8-15,29-31H,16-23H2,1-7H3
InChIKeyVQHUSCHBYNUZAB-UHFFFAOYSA-N
MW600.80 g/mol
LogP6.99
Rot. Bonds15

About 2-[[4-methyl-2-[2-methyl-1-[5-methyl-3-[2-methyl-1-[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane

2-[[4-methyl-2-[2-methyl-1-[5-methyl-3-[2-methyl-1-[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane (PubChem CID 156863408) has the molecular formula C38H48O6 and a molecular weight of 600.80 g/mol. Its IUPAC name is 2-[[4-methyl-2-[2-methyl-1-[5-methyl-3-[2-methyl-1-[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-methyl-2-[2-methyl-1-[5-methyl-3-[2-methyl-1-[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
PubChem CID156863408
Molecular FormulaC38H48O6
Molecular Weight600.80 g/mol
Exact Mass600.35
IUPAC Name2-[[4-methyl-2-[2-methyl-1-[5-methyl-3-[2-methyl-1-[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
SMILESCc1ccc(OCC2CO2)c(CC(C)(C)c2cc(C)cc(CC(C)(C)c3cc(C)ccc3OCC3CO3)c2OCC2CO2)c1
InChIInChI=1S/C38H48O6/c1-24-8-10-34(42-21-29-18-39-29)27(12-24)16-38(6,7)33-15-26(3)13-28(36(33)44-23-31-20-41-31)17-37(4,5)32-14-25(2)9-11-35(32)43-22-30-19-40-30/h8-15,29-31H,16-23H2,1-7H3
InChIKeyVQHUSCHBYNUZAB-UHFFFAOYSA-N
XLogP6.99
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.80
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2,5-bis(2-methylbutan-2-yl)-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 139814458
2-[[4-methyl-2-[[5-methyl-3-[[5-methyl-3-[[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 162125485
2-[[4-methyl-2,6-bis[[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane
CID 118360921
(2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane
CID 142614118
2-[[2-[[10-[[3,5-dimethyl-2-(oxiran-2-ylmethoxy)phenyl]methyl]anthracen-9-yl]methyl]-4,6-dimethylphenoxy]methyl]oxirane
CID 102426138
4-[(2-tert-butyl-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane
CID 68913818
2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 90250195
2-[[2,6-dimethyl-4-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 142851433
2-[[4-methyl-2-(3-methylphenyl)phenoxy]methyl]oxirane
CID 168860448
(2S)-2-[[2-(3-methoxypropyl)-5-methylphenoxy]methyl]oxirane
CID 142614302
2-[[2,5-dimethyl-3-[[4-methyl-3-[[4-methyl-3-(oxiran-2-ylmethoxy)phenyl]methyl]-5-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 89279977
2-[[1-[2-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]propan-2-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 156790199

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-2-[2-methyl-1-[5-methyl-3-[2-methyl-1-[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-methyl-2-[2-methyl-1-[5-methyl-3-[2-methyl-1-[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane (CID 156863408) is 2-[[4-methyl-2-[2-methyl-1-[5-methyl-3-[2-methyl-1-[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-methyl-2-[2-methyl-1-[5-methyl-3-[2-methyl-1-[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-methyl-2-[2-methyl-1-[5-methyl-3-[2-methyl-1-[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane is Cc1ccc(OCC2CO2)c(CC(C)(C)c2cc(C)cc(CC(C)(C)c3cc(C)ccc3OCC3CO3)c2OCC2CO2)c1.
What is the InChIKey of 2-[[4-methyl-2-[2-methyl-1-[5-methyl-3-[2-methyl-1-[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane?
The InChIKey is VQHUSCHBYNUZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48O6/c1-24-8-10-34(42-21-29-18-39-29)27(12-24)16-38(6,7)33-15-26(3)13-28(36(33)44-23-31-20-41-31)17-37(4,5)32-14-25(2)9-11-35(32)43-22-30-19-40-30/h8-15,29-31H,16-23H2,1-7H3.
What are the key properties of 2-[[4-methyl-2-[2-methyl-1-[5-methyl-3-[2-methyl-1-[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane?
2-[[4-methyl-2-[2-methyl-1-[5-methyl-3-[2-methyl-1-[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane has a molecular weight of 600.80 g/mol, XLogP of 6.99, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-2-[2-methyl-1-[5-methyl-3-[2-methyl-1-[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane is sourced from PubChem (CID 156863408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).