benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane

C34H56 — CID 158670454

IUPACbenzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
SMILESCC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C10H14.2C6H6.2C5H12.C2H6/c1-10(2,3)9-7-5-4-6-8-9;2*1-2-4-6-5-3-1;2*1-5(2,3)4;1-2/h4-8H,1-3H3;2*1-6H;2*1-4H3;1-2H3
InChIKeyIDWQXACYSXHOIW-UHFFFAOYSA-N
MW464.82 g/mol
LogP11.49
Rot. Bonds

About benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane

benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane (PubChem CID 158670454) has the molecular formula C34H56 and a molecular weight of 464.82 g/mol. Its IUPAC name is benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane.

Molecular Properties

Compound Namebenzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
PubChem CID158670454
Molecular FormulaC34H56
Molecular Weight464.82 g/mol
Exact Mass464.44
IUPAC Namebenzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
SMILESCC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C10H14.2C6H6.2C5H12.C2H6/c1-10(2,3)9-7-5-4-6-8-9;2*1-2-4-6-5-3-1;2*1-5(2,3)4;1-2/h4-8H,1-3H3;2*1-6H;2*1-4H3;1-2H3
InChIKeyIDWQXACYSXHOIW-UHFFFAOYSA-N
XLogP11.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.82
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tert-butylbenzene;chloromethane;ethane
CID 91149652
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
CID 171375456
CID 171375456
tert-butylbenzene;N,N-dimethylmethanamine;ethane
CID 158234617
tert-butylbenzene;molecular nitrogen
CID 146464751
tris(tert-butylbenzene);ethane;toluene
CID 158234120
tert-butylbenzene;methanimine
CID 174908280
1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
tert-butylbenzene;1,3,5-trimethylbenzene
CID 173429948
1,1-difluoroethylbenzene
CID 10942535
tert-butylbenzene;hexane
CID 175254424
bicyclo[2.2.0]hexane;tert-butylbenzene
CID 174393348

Frequently Asked Questions

What is the IUPAC name of benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane?
The IUPAC name of benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane (CID 158670454) is benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane.
What is the SMILES notation for benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane?
The canonical SMILES for benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane is CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane?
The InChIKey is IDWQXACYSXHOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.2C6H6.2C5H12.C2H6/c1-10(2,3)9-7-5-4-6-8-9;2*1-2-4-6-5-3-1;2*1-5(2,3)4;1-2/h4-8H,1-3H3;2*1-6H;2*1-4H3;1-2H3.
What are the key properties of benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane?
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane has a molecular weight of 464.82 g/mol, XLogP of 11.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane is sourced from PubChem (CID 158670454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).