tert-butylbenzene;tert-butylcyclopentane;1-tert-butyl-4-methylbenzene;2,2-dimethylhexane;2,2,3,3-tetramethylbutane

C46H84 — CID 158955573

IUPACtert-butylbenzene;tert-butylcyclopentane;1-tert-butyl-4-methylbenzene;2,2-dimethylhexane;2,2,3,3-tetramethylbutane
SMILESCC(C)(C)C(C)(C)C.CC(C)(C)C1CCCC1.CC(C)(C)c1ccccc1.CCCCC(C)(C)C.Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C11H16.C10H14.C9H18.2C8H18/c1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-8;1-7(2,3)8(4,5)6;1-5-6-7-8(2,3)4/h5-8H,1-4H3;4-8H,1-3H3;8H,4-7H2,1-3H3;1-6H3;5-7H2,1-4H3
InChIKeyJLYQUZOFFTVCGP-UHFFFAOYSA-N
MW637.18 g/mol
LogP15.80
Rot. Bonds2

About tert-butylbenzene;tert-butylcyclopentane;1-tert-butyl-4-methylbenzene;2,2-dimethylhexane;2,2,3,3-tetramethylbutane

tert-butylbenzene;tert-butylcyclopentane;1-tert-butyl-4-methylbenzene;2,2-dimethylhexane;2,2,3,3-tetramethylbutane (PubChem CID 158955573) has the molecular formula C46H84 and a molecular weight of 637.18 g/mol. Its IUPAC name is tert-butylbenzene;tert-butylcyclopentane;1-tert-butyl-4-methylbenzene;2,2-dimethylhexane;2,2,3,3-tetramethylbutane.

Molecular Properties

Compound Nametert-butylbenzene;tert-butylcyclopentane;1-tert-butyl-4-methylbenzene;2,2-dimethylhexane;2,2,3,3-tetramethylbutane
PubChem CID158955573
Molecular FormulaC46H84
Molecular Weight637.18 g/mol
Exact Mass636.66
IUPAC Nametert-butylbenzene;tert-butylcyclopentane;1-tert-butyl-4-methylbenzene;2,2-dimethylhexane;2,2,3,3-tetramethylbutane
SMILESCC(C)(C)C(C)(C)C.CC(C)(C)C1CCCC1.CC(C)(C)c1ccccc1.CCCCC(C)(C)C.Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C11H16.C10H14.C9H18.2C8H18/c1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-8;1-7(2,3)8(4,5)6;1-5-6-7-8(2,3)4/h5-8H,1-4H3;4-8H,1-3H3;8H,4-7H2,1-3H3;1-6H3;5-7H2,1-4H3
InChIKeyJLYQUZOFFTVCGP-UHFFFAOYSA-N
XLogP15.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.18
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tert-butylbenzene;tert-butylcyclopentane;1-tert-butyl-4-methylbenzene;2,2-dimethylhexane;2,2,3,3-tetramethylbutane with MolForge

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Related Compounds

2-cyclopentyl-2-(4-methylphenyl)hexanoic acid
CID 123343946
tert-butylbenzene;hexane
CID 175254424
1-[cyclohexyl-(4-methylphenyl)-phenylmethyl]-4-phenylbenzene
CID 143707750
tert-butylbenzene;tert-butylcyclopentane;2,2-dimethylpropane;1H-indene
CID 162275147
[(3S)-2,2,3-trimethylheptan-3-yl]benzene
CID 158389582
(3,3-dimethyl-2-phenylheptan-2-yl)benzene
CID 139749587
1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylcyclohexane;1-tert-butyl-4-methylcyclohexene;(4R)-1-tert-butyl-4-methylcyclohexene;(4S)-1-tert-butyl-4-methylcyclohexene;1,4-dimethylcyclohexane;propane
CID 167689429
1-[2,3-bis(4-methylphenyl)cyclopropyl]-4-tert-butylbenzene
CID 123709825
tert-butylbenzene;cyclohexylbenzene
CID 158089404
(1-chloro-2-cyclopentylbutan-2-yl)benzene
CID 82945804
2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride
CID 142429224
tris(tert-butylbenzene);ethane;toluene
CID 158234120

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;tert-butylcyclopentane;1-tert-butyl-4-methylbenzene;2,2-dimethylhexane;2,2,3,3-tetramethylbutane?
The IUPAC name of tert-butylbenzene;tert-butylcyclopentane;1-tert-butyl-4-methylbenzene;2,2-dimethylhexane;2,2,3,3-tetramethylbutane (CID 158955573) is tert-butylbenzene;tert-butylcyclopentane;1-tert-butyl-4-methylbenzene;2,2-dimethylhexane;2,2,3,3-tetramethylbutane.
What is the SMILES notation for tert-butylbenzene;tert-butylcyclopentane;1-tert-butyl-4-methylbenzene;2,2-dimethylhexane;2,2,3,3-tetramethylbutane?
The canonical SMILES for tert-butylbenzene;tert-butylcyclopentane;1-tert-butyl-4-methylbenzene;2,2-dimethylhexane;2,2,3,3-tetramethylbutane is CC(C)(C)C(C)(C)C.CC(C)(C)C1CCCC1.CC(C)(C)c1ccccc1.CCCCC(C)(C)C.Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of tert-butylbenzene;tert-butylcyclopentane;1-tert-butyl-4-methylbenzene;2,2-dimethylhexane;2,2,3,3-tetramethylbutane?
The InChIKey is JLYQUZOFFTVCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C10H14.C9H18.2C8H18/c1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-8;1-7(2,3)8(4,5)6;1-5-6-7-8(2,3)4/h5-8H,1-4H3;4-8H,1-3H3;8H,4-7H2,1-3H3;1-6H3;5-7H2,1-4H3.
What are the key properties of tert-butylbenzene;tert-butylcyclopentane;1-tert-butyl-4-methylbenzene;2,2-dimethylhexane;2,2,3,3-tetramethylbutane?
tert-butylbenzene;tert-butylcyclopentane;1-tert-butyl-4-methylbenzene;2,2-dimethylhexane;2,2,3,3-tetramethylbutane has a molecular weight of 637.18 g/mol, XLogP of 15.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;tert-butylcyclopentane;1-tert-butyl-4-methylbenzene;2,2-dimethylhexane;2,2,3,3-tetramethylbutane is sourced from PubChem (CID 158955573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).