bis(1-tert-butyl-1-(2,2-dimethylpropyl)cyclopropane);1-(2,2-dimethylpropyl)-1-methylcyclopropane

C33H66 — CID 162149662

IUPACbis(1-tert-butyl-1-(2,2-dimethylpropyl)cyclopropane);1-(2,2-dimethylpropyl)-1-methylcyclopropane
SMILESCC(C)(C)CC1(C(C)(C)C)CC1.CC(C)(C)CC1(C(C)(C)C)CC1.CC(C)(C)CC1(C)CC1
InChIInChI=1S/2C12H24.C9H18/c2*1-10(2,3)9-12(7-8-12)11(4,5)6;1-8(2,3)7-9(4)5-6-9/h2*7-9H2,1-6H3;5-7H2,1-4H3
InChIKeyZLAIIABGLYTIMN-UHFFFAOYSA-N
MW462.89 g/mol
LogP11.72
Rot. Bonds3

About bis(1-tert-butyl-1-(2,2-dimethylpropyl)cyclopropane);1-(2,2-dimethylpropyl)-1-methylcyclopropane

bis(1-tert-butyl-1-(2,2-dimethylpropyl)cyclopropane);1-(2,2-dimethylpropyl)-1-methylcyclopropane (PubChem CID 162149662) has the molecular formula C33H66 and a molecular weight of 462.89 g/mol. Its IUPAC name is bis(1-tert-butyl-1-(2,2-dimethylpropyl)cyclopropane);1-(2,2-dimethylpropyl)-1-methylcyclopropane.

Molecular Properties

Compound Namebis(1-tert-butyl-1-(2,2-dimethylpropyl)cyclopropane);1-(2,2-dimethylpropyl)-1-methylcyclopropane
PubChem CID162149662
Molecular FormulaC33H66
Molecular Weight462.89 g/mol
Exact Mass462.52
IUPAC Namebis(1-tert-butyl-1-(2,2-dimethylpropyl)cyclopropane);1-(2,2-dimethylpropyl)-1-methylcyclopropane
SMILESCC(C)(C)CC1(C(C)(C)C)CC1.CC(C)(C)CC1(C(C)(C)C)CC1.CC(C)(C)CC1(C)CC1
InChIInChI=1S/2C12H24.C9H18/c2*1-10(2,3)9-12(7-8-12)11(4,5)6;1-8(2,3)7-9(4)5-6-9/h2*7-9H2,1-6H3;5-7H2,1-4H3
InChIKeyZLAIIABGLYTIMN-UHFFFAOYSA-N
XLogP11.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.89
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1'-Bicyclopropyl, 1,1'-dimethyl-
CID 143588
1,2,3,4-Tetrakis(1,1-dimethylethyl)tricyclo(1.1.0.02,4)butane
CID 144194
Tetramethylspiropentane
CID 129678501
Tetramethyltetrahedrane
CID 12506571
1,1,2,2,9,9,10,10,16,16,17,17,23,23,24,24,30,30,31,31,37,37,38,38-Tetracosamethylhexaspiro[2.4.28.4.215.4.222.4.229.4.236.43]dotetraconta-4,6,11,13,18,20,25,27,32,34,39,41-dodecayne
CID 102244452
Dioctylspiropentane
CID 129723579
Tetramethyldispiro[2.5.2.7]octadecane
CID 129815805
Tetramethyldispiro[2.6.2.6]octadecane
CID 129815854
Bis(3-tert-butyl-2,2-dimethylcyclopropyl)zinc
CID 550367
1-(2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67-Hexahexacontamethyloctahexacontan-2-yl)-2-(1-propan-2-ylcyclopropyl)cyclopropane
CID 21338514
1-Cyclopropyl-1-propan-2-ylcyclopropane
CID 57237344
1-Propan-2-yl-1-(1-propan-2-ylcyclopropyl)cyclopropane
CID 58932440

Frequently Asked Questions

What is the IUPAC name of bis(1-tert-butyl-1-(2,2-dimethylpropyl)cyclopropane);1-(2,2-dimethylpropyl)-1-methylcyclopropane?
The IUPAC name of bis(1-tert-butyl-1-(2,2-dimethylpropyl)cyclopropane);1-(2,2-dimethylpropyl)-1-methylcyclopropane (CID 162149662) is bis(1-tert-butyl-1-(2,2-dimethylpropyl)cyclopropane);1-(2,2-dimethylpropyl)-1-methylcyclopropane.
What is the SMILES notation for bis(1-tert-butyl-1-(2,2-dimethylpropyl)cyclopropane);1-(2,2-dimethylpropyl)-1-methylcyclopropane?
The canonical SMILES for bis(1-tert-butyl-1-(2,2-dimethylpropyl)cyclopropane);1-(2,2-dimethylpropyl)-1-methylcyclopropane is CC(C)(C)CC1(C(C)(C)C)CC1.CC(C)(C)CC1(C(C)(C)C)CC1.CC(C)(C)CC1(C)CC1.
What is the InChIKey of bis(1-tert-butyl-1-(2,2-dimethylpropyl)cyclopropane);1-(2,2-dimethylpropyl)-1-methylcyclopropane?
The InChIKey is ZLAIIABGLYTIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H24.C9H18/c2*1-10(2,3)9-12(7-8-12)11(4,5)6;1-8(2,3)7-9(4)5-6-9/h2*7-9H2,1-6H3;5-7H2,1-4H3.
What are the key properties of bis(1-tert-butyl-1-(2,2-dimethylpropyl)cyclopropane);1-(2,2-dimethylpropyl)-1-methylcyclopropane?
bis(1-tert-butyl-1-(2,2-dimethylpropyl)cyclopropane);1-(2,2-dimethylpropyl)-1-methylcyclopropane has a molecular weight of 462.89 g/mol, XLogP of 11.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-tert-butyl-1-(2,2-dimethylpropyl)cyclopropane);1-(2,2-dimethylpropyl)-1-methylcyclopropane is sourced from PubChem (CID 162149662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).