4-tert-butyl-1,2-bis[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]benzene

C36H50O8 — CID 139335896

IUPAC4-tert-butyl-1,2-bis[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]benzene
SMILESCC(C)(C)c1ccc(OCCOCCOCCOCc2ccccc2)c(OCCOCCOCCOCc2ccccc2)c1
InChIInChI=1S/C36H50O8/c1-36(2,3)33-14-15-34(43-26-24-39-18-16-37-20-22-41-29-31-10-6-4-7-11-31)35(28-33)44-27-25-40-19-17-38-21-23-42-30-32-12-8-5-9-13-32/h4-15,28H,16-27,29-30H2,1-3H3
InChIKeyAQZVMRDYGLIZGC-UHFFFAOYSA-N
MW610.79 g/mol
LogP6.24
Rot. Bonds24

About 4-tert-butyl-1,2-bis[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]benzene

4-tert-butyl-1,2-bis[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]benzene (PubChem CID 139335896) has the molecular formula C36H50O8 and a molecular weight of 610.79 g/mol. Its IUPAC name is 4-tert-butyl-1,2-bis[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name4-tert-butyl-1,2-bis[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]benzene
PubChem CID139335896
Molecular FormulaC36H50O8
Molecular Weight610.79 g/mol
Exact Mass610.35
IUPAC Name4-tert-butyl-1,2-bis[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]benzene
SMILESCC(C)(C)c1ccc(OCCOCCOCCOCc2ccccc2)c(OCCOCCOCCOCc2ccccc2)c1
InChIInChI=1S/C36H50O8/c1-36(2,3)33-14-15-34(43-26-24-39-18-16-37-20-22-41-29-31-10-6-4-7-11-31)35(28-33)44-27-25-40-19-17-38-21-23-42-30-32-12-8-5-9-13-32/h4-15,28H,16-27,29-30H2,1-3H3
InChIKeyAQZVMRDYGLIZGC-UHFFFAOYSA-N
XLogP6.24
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.79
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 89308088
4-tert-butyl-2-phenylmethoxyphenol
CID 18795860
2-bromo-4-tert-butyl-1-phenylmethoxybenzene
CID 15152030
4-tert-butyl-1,2-bis(3-chloropropoxy)benzene
CID 13295778
2,3-bis[2-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalene
CID 139335952
1-(2-phenylmethoxyethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene
CID 58676284
2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine
CID 130536986
5-tert-butyl-2-(2-phenylethoxy)aniline
CID 54853306
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene
CID 63664014
4-bromo-2-chloro-1-(2-phenylmethoxyethoxy)benzene
CID 22503230

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,2-bis[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]benzene?
The IUPAC name of 4-tert-butyl-1,2-bis[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]benzene (CID 139335896) is 4-tert-butyl-1,2-bis[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]benzene.
What is the SMILES notation for 4-tert-butyl-1,2-bis[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]benzene?
The canonical SMILES for 4-tert-butyl-1,2-bis[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]benzene is CC(C)(C)c1ccc(OCCOCCOCCOCc2ccccc2)c(OCCOCCOCCOCc2ccccc2)c1.
What is the InChIKey of 4-tert-butyl-1,2-bis[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]benzene?
The InChIKey is AQZVMRDYGLIZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H50O8/c1-36(2,3)33-14-15-34(43-26-24-39-18-16-37-20-22-41-29-31-10-6-4-7-11-31)35(28-33)44-27-25-40-19-17-38-21-23-42-30-32-12-8-5-9-13-32/h4-15,28H,16-27,29-30H2,1-3H3.
What are the key properties of 4-tert-butyl-1,2-bis[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]benzene?
4-tert-butyl-1,2-bis[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]benzene has a molecular weight of 610.79 g/mol, XLogP of 6.24, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,2-bis[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]benzene is sourced from PubChem (CID 139335896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).