tert-butylbenzene;tert-butylcyclopentane;2,2-dimethylpropane;1H-indene

C33H52 — CID 162275147

IUPACtert-butylbenzene;tert-butylcyclopentane;2,2-dimethylpropane;1H-indene
SMILESC1=Cc2ccccc2C1.CC(C)(C)C.CC(C)(C)C1CCCC1.CC(C)(C)c1ccccc1
InChIInChI=1S/C10H14.C9H8.C9H18.C5H12/c1-10(2,3)9-7-5-4-6-8-9;1-2-5-9-7-3-6-8(9)4-1;1-9(2,3)8-6-4-5-7-8;1-5(2,3)4/h4-8H,1-3H3;1-6H,7H2;8H,4-7H2,1-3H3;1-4H3
InChIKeyUFXVSYAYQAKJPT-UHFFFAOYSA-N
MW448.78 g/mol
LogP10.52
Rot. Bonds

About tert-butylbenzene;tert-butylcyclopentane;2,2-dimethylpropane;1H-indene

tert-butylbenzene;tert-butylcyclopentane;2,2-dimethylpropane;1H-indene (PubChem CID 162275147) has the molecular formula C33H52 and a molecular weight of 448.78 g/mol. Its IUPAC name is tert-butylbenzene;tert-butylcyclopentane;2,2-dimethylpropane;1H-indene.

Molecular Properties

Compound Nametert-butylbenzene;tert-butylcyclopentane;2,2-dimethylpropane;1H-indene
PubChem CID162275147
Molecular FormulaC33H52
Molecular Weight448.78 g/mol
Exact Mass448.41
IUPAC Nametert-butylbenzene;tert-butylcyclopentane;2,2-dimethylpropane;1H-indene
SMILESC1=Cc2ccccc2C1.CC(C)(C)C.CC(C)(C)C1CCCC1.CC(C)(C)c1ccccc1
InChIInChI=1S/C10H14.C9H8.C9H18.C5H12/c1-10(2,3)9-7-5-4-6-8-9;1-2-5-9-7-3-6-8(9)4-1;1-9(2,3)8-6-4-5-7-8;1-5(2,3)4/h4-8H,1-3H3;1-6H,7H2;8H,4-7H2,1-3H3;1-4H3
InChIKeyUFXVSYAYQAKJPT-UHFFFAOYSA-N
XLogP10.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.78
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Dimethyldiphenylmethane
CID 13065
9-Methylfluorene
CID 17299
2,3-Dihydro-1,1,3-trimethyl-3-phenyl-1H-indene
CID 19793
1,1'-(1,1-Dimethyl-3-methylene-1,3-propanediyl)bisbenzene
CID 80715
Benzene, 1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis-
CID 74681
Benzene, ethyl(phenylethyl)-, mono-ar-ethyl deriv.
CID 521817
Isorenieratene
CID 9984420
meso-2,3-Diphenylbutane
CID 20735
1,1-Diphenyl-2-methylpropane
CID 274386
9,9-Dimethylfluorene
CID 78325
1,1,2,3,3-Pentamethylindan
CID 14549
1,1'-(1-Methyl-1,3-propanediyl)bis(benzene)
CID 15203

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;tert-butylcyclopentane;2,2-dimethylpropane;1H-indene?
The IUPAC name of tert-butylbenzene;tert-butylcyclopentane;2,2-dimethylpropane;1H-indene (CID 162275147) is tert-butylbenzene;tert-butylcyclopentane;2,2-dimethylpropane;1H-indene.
What is the SMILES notation for tert-butylbenzene;tert-butylcyclopentane;2,2-dimethylpropane;1H-indene?
The canonical SMILES for tert-butylbenzene;tert-butylcyclopentane;2,2-dimethylpropane;1H-indene is C1=Cc2ccccc2C1.CC(C)(C)C.CC(C)(C)C1CCCC1.CC(C)(C)c1ccccc1.
What is the InChIKey of tert-butylbenzene;tert-butylcyclopentane;2,2-dimethylpropane;1H-indene?
The InChIKey is UFXVSYAYQAKJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C9H8.C9H18.C5H12/c1-10(2,3)9-7-5-4-6-8-9;1-2-5-9-7-3-6-8(9)4-1;1-9(2,3)8-6-4-5-7-8;1-5(2,3)4/h4-8H,1-3H3;1-6H,7H2;8H,4-7H2,1-3H3;1-4H3.
What are the key properties of tert-butylbenzene;tert-butylcyclopentane;2,2-dimethylpropane;1H-indene?
tert-butylbenzene;tert-butylcyclopentane;2,2-dimethylpropane;1H-indene has a molecular weight of 448.78 g/mol, XLogP of 10.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;tert-butylcyclopentane;2,2-dimethylpropane;1H-indene is sourced from PubChem (CID 162275147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).