5-tert-butyl-1,3-bis[[5-tert-butyl-2-(methoxymethoxy)phenyl]methyl]-2-(methoxymethoxy)benzene

C38H54O6 — CID 134864041

IUPAC5-tert-butyl-1,3-bis[[5-tert-butyl-2-(methoxymethoxy)phenyl]methyl]-2-(methoxymethoxy)benzene
SMILESCOCOc1ccc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)ccc2OCOC)c1OCOC
InChIInChI=1S/C38H54O6/c1-36(2,3)30-13-15-33(42-23-39-10)26(19-30)17-28-21-32(38(7,8)9)22-29(35(28)44-25-41-12)18-27-20-31(37(4,5)6)14-16-34(27)43-24-40-11/h13-16,19-22H,17-18,23-25H2,1-12H3
InChIKeyVJLIEQZYZMYNAB-UHFFFAOYSA-N
MW606.84 g/mol
LogP8.71
Rot. Bonds13

About 5-tert-butyl-1,3-bis[[5-tert-butyl-2-(methoxymethoxy)phenyl]methyl]-2-(methoxymethoxy)benzene

5-tert-butyl-1,3-bis[[5-tert-butyl-2-(methoxymethoxy)phenyl]methyl]-2-(methoxymethoxy)benzene (PubChem CID 134864041) has the molecular formula C38H54O6 and a molecular weight of 606.84 g/mol. Its IUPAC name is 5-tert-butyl-1,3-bis[[5-tert-butyl-2-(methoxymethoxy)phenyl]methyl]-2-(methoxymethoxy)benzene.

Molecular Properties

Compound Name5-tert-butyl-1,3-bis[[5-tert-butyl-2-(methoxymethoxy)phenyl]methyl]-2-(methoxymethoxy)benzene
PubChem CID134864041
Molecular FormulaC38H54O6
Molecular Weight606.84 g/mol
Exact Mass606.39
IUPAC Name5-tert-butyl-1,3-bis[[5-tert-butyl-2-(methoxymethoxy)phenyl]methyl]-2-(methoxymethoxy)benzene
SMILESCOCOc1ccc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)ccc2OCOC)c1OCOC
InChIInChI=1S/C38H54O6/c1-36(2,3)30-13-15-33(42-23-39-10)26(19-30)17-28-21-32(38(7,8)9)22-29(35(28)44-25-41-12)18-27-20-31(37(4,5)6)14-16-34(27)43-24-40-11/h13-16,19-22H,17-18,23-25H2,1-12H3
InChIKeyVJLIEQZYZMYNAB-UHFFFAOYSA-N
XLogP8.71
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.84
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-2-(2-ethoxy-2-oxoethoxy)-3-ethylphenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]phenoxy]acetate
CID 88557090
2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]acetic acid;2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]-N-hydroxyacetamide
CID 161280336
2-[5-tert-butyl-2-(methoxymethoxy)phenyl]pyrazine
CID 166306398
[5-tert-butyl-2-(methoxymethoxy)-3-tritylphenyl]methyl-[2-[[5-tert-butyl-2-(methoxymethoxy)-3-tritylphenyl]methylphosphanyl]ethyl]phosphane
CID 90057718
[5-tert-butyl-2-(methoxymethoxy)phenyl] benzoate
CID 71511931
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 83533648
2-[2-[2-[[2-[2-(2-hydroxyethoxy)ethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol
CID 118595331
1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine
CID 82262287
2-(chloromethyl)-1-(methoxymethoxy)-4-methylbenzene
CID 65364631
2-ethyl-4-fluoro-1-(methoxymethoxy)benzene
CID 177170323
(2,4-ditert-butylphenoxy)methyl hydrogen carbonate
CID 145055436

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-bis[[5-tert-butyl-2-(methoxymethoxy)phenyl]methyl]-2-(methoxymethoxy)benzene?
The IUPAC name of 5-tert-butyl-1,3-bis[[5-tert-butyl-2-(methoxymethoxy)phenyl]methyl]-2-(methoxymethoxy)benzene (CID 134864041) is 5-tert-butyl-1,3-bis[[5-tert-butyl-2-(methoxymethoxy)phenyl]methyl]-2-(methoxymethoxy)benzene.
What is the SMILES notation for 5-tert-butyl-1,3-bis[[5-tert-butyl-2-(methoxymethoxy)phenyl]methyl]-2-(methoxymethoxy)benzene?
The canonical SMILES for 5-tert-butyl-1,3-bis[[5-tert-butyl-2-(methoxymethoxy)phenyl]methyl]-2-(methoxymethoxy)benzene is COCOc1ccc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)ccc2OCOC)c1OCOC.
What is the InChIKey of 5-tert-butyl-1,3-bis[[5-tert-butyl-2-(methoxymethoxy)phenyl]methyl]-2-(methoxymethoxy)benzene?
The InChIKey is VJLIEQZYZMYNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H54O6/c1-36(2,3)30-13-15-33(42-23-39-10)26(19-30)17-28-21-32(38(7,8)9)22-29(35(28)44-25-41-12)18-27-20-31(37(4,5)6)14-16-34(27)43-24-40-11/h13-16,19-22H,17-18,23-25H2,1-12H3.
What are the key properties of 5-tert-butyl-1,3-bis[[5-tert-butyl-2-(methoxymethoxy)phenyl]methyl]-2-(methoxymethoxy)benzene?
5-tert-butyl-1,3-bis[[5-tert-butyl-2-(methoxymethoxy)phenyl]methyl]-2-(methoxymethoxy)benzene has a molecular weight of 606.84 g/mol, XLogP of 8.71, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-bis[[5-tert-butyl-2-(methoxymethoxy)phenyl]methyl]-2-(methoxymethoxy)benzene is sourced from PubChem (CID 134864041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).