tert-butylbenzene;1,3,5-trimethylbenzene

C19H26 — CID 173429948

IUPACtert-butylbenzene;1,3,5-trimethylbenzene
SMILESCC(C)(C)c1ccccc1.Cc1cc(C)cc(C)c1
InChIInChI=1S/C10H14.C9H12/c1-10(2,3)9-7-5-4-6-8-9;1-7-4-8(2)6-9(3)5-7/h4-8H,1-3H3;4-6H,1-3H3
InChIKeySFTDQUAPUOVXLG-UHFFFAOYSA-N
MW254.42 g/mol
LogP5.60
Rot. Bonds

About tert-butylbenzene;1,3,5-trimethylbenzene

tert-butylbenzene;1,3,5-trimethylbenzene (PubChem CID 173429948) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is tert-butylbenzene;1,3,5-trimethylbenzene.

Molecular Properties

Compound Nametert-butylbenzene;1,3,5-trimethylbenzene
PubChem CID173429948
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Nametert-butylbenzene;1,3,5-trimethylbenzene
SMILESCC(C)(C)c1ccccc1.Cc1cc(C)cc(C)c1
InChIInChI=1S/C10H14.C9H12/c1-10(2,3)9-7-5-4-6-8-9;1-7-4-8(2)6-9(3)5-7/h4-8H,1-3H3;4-6H,1-3H3
InChIKeySFTDQUAPUOVXLG-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tert-butylbenzene;1-tert-butyl-3,5-dimethylbenzene
CID 165052129
tris(tert-butylbenzene);ethane;toluene
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CID 171375456
CID 171375456
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
tert-butylbenzene;chloromethane;ethane
CID 91149652
tert-butylbenzene;molecular nitrogen
CID 146464751
1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene)
CID 175093014
tert-butylbenzene;methanimine
CID 174908280
3-tert-butylaniline;tert-butylbenzene
CID 158494400
tert-butylbenzene;N,N-dimethylmethanamine;ethane
CID 158234617
tert-butylbenzene;oxido(oxo)alumane;zirconium(4+)
CID 23336957

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;1,3,5-trimethylbenzene?
The IUPAC name of tert-butylbenzene;1,3,5-trimethylbenzene (CID 173429948) is tert-butylbenzene;1,3,5-trimethylbenzene.
What is the SMILES notation for tert-butylbenzene;1,3,5-trimethylbenzene?
The canonical SMILES for tert-butylbenzene;1,3,5-trimethylbenzene is CC(C)(C)c1ccccc1.Cc1cc(C)cc(C)c1.
What is the InChIKey of tert-butylbenzene;1,3,5-trimethylbenzene?
The InChIKey is SFTDQUAPUOVXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C9H12/c1-10(2,3)9-7-5-4-6-8-9;1-7-4-8(2)6-9(3)5-7/h4-8H,1-3H3;4-6H,1-3H3.
What are the key properties of tert-butylbenzene;1,3,5-trimethylbenzene?
tert-butylbenzene;1,3,5-trimethylbenzene has a molecular weight of 254.42 g/mol, XLogP of 5.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;1,3,5-trimethylbenzene is sourced from PubChem (CID 173429948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).