tert-butylbenzene;2,2-dimethylpropane;methane

C17H34 — CID 160959011

IUPACtert-butylbenzene;2,2-dimethylpropane;methane
SMILESC.C.CC(C)(C)C.CC(C)(C)c1ccccc1
InChIInChI=1S/C10H14.C5H12.2CH4/c1-10(2,3)9-7-5-4-6-8-9;1-5(2,3)4;;/h4-8H,1-3H3;1-4H3;2*1H4
InChIKeySWTRNYMWVDFPDY-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.31
Rot. Bonds

About tert-butylbenzene;2,2-dimethylpropane;methane

tert-butylbenzene;2,2-dimethylpropane;methane (PubChem CID 160959011) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is tert-butylbenzene;2,2-dimethylpropane;methane.

Molecular Properties

Compound Nametert-butylbenzene;2,2-dimethylpropane;methane
PubChem CID160959011
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Nametert-butylbenzene;2,2-dimethylpropane;methane
SMILESC.C.CC(C)(C)C.CC(C)(C)c1ccccc1
InChIInChI=1S/C10H14.C5H12.2CH4/c1-10(2,3)9-7-5-4-6-8-9;1-5(2,3)4;;/h4-8H,1-3H3;1-4H3;2*1H4
InChIKeySWTRNYMWVDFPDY-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
CID 171375456
CID 171375456
tert-butylbenzene;molecular nitrogen
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tert-butylbenzene;chloromethane;ethane
CID 91149652
tert-butylbenzene;methanimine
CID 174908280
tert-butylbenzene;N,N-dimethylmethanamine;ethane
CID 158234617
tris(tert-butylbenzene);ethane;toluene
CID 158234120
tert-butylbenzene;1,3,5-trimethylbenzene
CID 173429948
1,1-difluoroethylbenzene
CID 10942535
bicyclo[2.2.0]hexane;tert-butylbenzene
CID 174393348
tert-butylbenzene;hexane
CID 175254424
2-phenylpropan-2-ylbenzene
CID 13065

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;2,2-dimethylpropane;methane?
The IUPAC name of tert-butylbenzene;2,2-dimethylpropane;methane (CID 160959011) is tert-butylbenzene;2,2-dimethylpropane;methane.
What is the SMILES notation for tert-butylbenzene;2,2-dimethylpropane;methane?
The canonical SMILES for tert-butylbenzene;2,2-dimethylpropane;methane is C.C.CC(C)(C)C.CC(C)(C)c1ccccc1.
What is the InChIKey of tert-butylbenzene;2,2-dimethylpropane;methane?
The InChIKey is SWTRNYMWVDFPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C5H12.2CH4/c1-10(2,3)9-7-5-4-6-8-9;1-5(2,3)4;;/h4-8H,1-3H3;1-4H3;2*1H4.
What are the key properties of tert-butylbenzene;2,2-dimethylpropane;methane?
tert-butylbenzene;2,2-dimethylpropane;methane has a molecular weight of 238.46 g/mol, XLogP of 6.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;2,2-dimethylpropane;methane is sourced from PubChem (CID 160959011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).