tetrakis(1-tert-butyl-4-methylbenzene);ethane

C46H70 — CID 163240916

IUPACtetrakis(1-tert-butyl-4-methylbenzene);ethane
SMILESCC.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/4C11H16.C2H6/c4*1-9-5-7-10(8-6-9)11(2,3)4;1-2/h4*5-8H,1-4H3;1-2H3
InChIKeySRXCUTUONLNUSE-UHFFFAOYSA-N
MW623.07 g/mol
LogP14.20
Rot. Bonds

About tetrakis(1-tert-butyl-4-methylbenzene);ethane

tetrakis(1-tert-butyl-4-methylbenzene);ethane (PubChem CID 163240916) has the molecular formula C46H70 and a molecular weight of 623.07 g/mol. Its IUPAC name is tetrakis(1-tert-butyl-4-methylbenzene);ethane.

Molecular Properties

Compound Nametetrakis(1-tert-butyl-4-methylbenzene);ethane
PubChem CID163240916
Molecular FormulaC46H70
Molecular Weight623.07 g/mol
Exact Mass622.55
IUPAC Nametetrakis(1-tert-butyl-4-methylbenzene);ethane
SMILESCC.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/4C11H16.C2H6/c4*1-9-5-7-10(8-6-9)11(2,3)4;1-2/h4*5-8H,1-4H3;1-2H3
InChIKeySRXCUTUONLNUSE-UHFFFAOYSA-N
XLogP14.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.07
LogP ≤ 514.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-4-methylbenzene
CID 163486601
1-tert-butyl-4-methylbenzene;dibromozinc
CID 174651577
1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
1-tert-butyl-4-methylbenzene;1,4-ditert-butyl-2,3,5,6-tetramethylbenzene;methane
CID 159929613
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456
1-[2,3-bis(4-methylphenyl)cyclopropyl]-4-tert-butylbenzene
CID 123709825
ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 145481867
tris(tert-butylbenzene);ethane;toluene
CID 158234120
1-tert-butyl-4-methylbenzene;methyl-(4-methylphenyl)-oxoazanium
CID 162205446
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline
CID 134425789
1-tert-butyl-4-methylbenzene;2-tert-butyl-6-methylnaphthalene
CID 159784844

Frequently Asked Questions

What is the IUPAC name of tetrakis(1-tert-butyl-4-methylbenzene);ethane?
The IUPAC name of tetrakis(1-tert-butyl-4-methylbenzene);ethane (CID 163240916) is tetrakis(1-tert-butyl-4-methylbenzene);ethane.
What is the SMILES notation for tetrakis(1-tert-butyl-4-methylbenzene);ethane?
The canonical SMILES for tetrakis(1-tert-butyl-4-methylbenzene);ethane is CC.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of tetrakis(1-tert-butyl-4-methylbenzene);ethane?
The InChIKey is SRXCUTUONLNUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H16.C2H6/c4*1-9-5-7-10(8-6-9)11(2,3)4;1-2/h4*5-8H,1-4H3;1-2H3.
What are the key properties of tetrakis(1-tert-butyl-4-methylbenzene);ethane?
tetrakis(1-tert-butyl-4-methylbenzene);ethane has a molecular weight of 623.07 g/mol, XLogP of 14.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-tert-butyl-4-methylbenzene);ethane is sourced from PubChem (CID 163240916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).