3-tert-butyl-2-(2,3-dimethylbutan-2-yl)-1,1,2,3,4-pentamethyl-4-(2,3,3-trimethylbutan-2-yl)cyclopentane

C27H54 — CID 91314915

IUPAC3-tert-butyl-2-(2,3-dimethylbutan-2-yl)-1,1,2,3,4-pentamethyl-4-(2,3,3-trimethylbutan-2-yl)cyclopentane
SMILESCC(C)C(C)(C)C1(C)C(C)(C)CC(C)(C(C)(C)C(C)(C)C)C1(C)C(C)(C)C
InChIInChI=1S/C27H54/c1-19(2)23(11,12)27(17)22(9,10)18-25(15,24(13,14)20(3,4)5)26(27,16)21(6,7)8/h19H,18H2,1-17H3
InChIKeyKCLILFOFAQGWLA-UHFFFAOYSA-N
MW378.73 g/mol
LogP9.24
Rot. Bonds3

About 3-tert-butyl-2-(2,3-dimethylbutan-2-yl)-1,1,2,3,4-pentamethyl-4-(2,3,3-trimethylbutan-2-yl)cyclopentane

3-tert-butyl-2-(2,3-dimethylbutan-2-yl)-1,1,2,3,4-pentamethyl-4-(2,3,3-trimethylbutan-2-yl)cyclopentane (PubChem CID 91314915) has the molecular formula C27H54 and a molecular weight of 378.73 g/mol. Its IUPAC name is 3-tert-butyl-2-(2,3-dimethylbutan-2-yl)-1,1,2,3,4-pentamethyl-4-(2,3,3-trimethylbutan-2-yl)cyclopentane.

Molecular Properties

Compound Name3-tert-butyl-2-(2,3-dimethylbutan-2-yl)-1,1,2,3,4-pentamethyl-4-(2,3,3-trimethylbutan-2-yl)cyclopentane
PubChem CID91314915
Molecular FormulaC27H54
Molecular Weight378.73 g/mol
Exact Mass378.42
IUPAC Name3-tert-butyl-2-(2,3-dimethylbutan-2-yl)-1,1,2,3,4-pentamethyl-4-(2,3,3-trimethylbutan-2-yl)cyclopentane
SMILESCC(C)C(C)(C)C1(C)C(C)(C)CC(C)(C(C)(C)C(C)(C)C)C1(C)C(C)(C)C
InChIInChI=1S/C27H54/c1-19(2)23(11,12)27(17)22(9,10)18-25(15,24(13,14)20(3,4)5)26(27,16)21(6,7)8/h19H,18H2,1-17H3
InChIKeyKCLILFOFAQGWLA-UHFFFAOYSA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.73
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-tert-butyl-2-(2,3-dimethylbutan-2-yl)-1,1,2,3,4-pentamethyl-4-(2,3,3-trimethylbutan-2-yl)cyclopentane with MolForge

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Related Compounds

1-tert-butyl-2,2-dimethyl-1-propan-2-ylcyclopropane
CID 12600021
1-(2,3-dimethylpentan-3-yl)-1,2-dimethylcyclopropane
CID 123741342
2-tert-butyl-1,1,2-trimethyl-3-propan-2-ylcyclobutane
CID 123668668
(4S)-4-tert-butyl-1,1,2,2,3,4-hexamethylcyclopentane;ethane
CID 162284254
1-(2,3-dimethylbutan-2-yl)-1,2,2,3,4-pentamethylcyclobutane
CID 91502764
6-(3-ethyl-2,3-dimethylpentan-2-yl)-1,3,4,4,6-pentamethylbicyclo[3.2.0]heptane
CID 123365588
1,2,3,4,5,6,7,8-octakis(2,3-dimethylbutan-2-yl)tricyclo[4.2.0.02,5]octane
CID 101044420
(1R,3S,5R)-3-tert-butyl-5-methyl-2-(3-methylbutan-2-yl)-2-azabicyclo[3.1.0]hexane
CID 166766977
2-(2,2-dimethylpropyl)-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273970
(1R,3S,4R)-1,4-dimethyl-3-propan-2-ylcyclopentane-1,3-diol
CID 10583336
ethane;1-methyl-1-(2,3,3-trimethylbutan-2-yl)cyclopropane
CID 161091671
1,2,2-trimethyl-4-propan-2-ylazetidine
CID 178105935

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-(2,3-dimethylbutan-2-yl)-1,1,2,3,4-pentamethyl-4-(2,3,3-trimethylbutan-2-yl)cyclopentane?
The IUPAC name of 3-tert-butyl-2-(2,3-dimethylbutan-2-yl)-1,1,2,3,4-pentamethyl-4-(2,3,3-trimethylbutan-2-yl)cyclopentane (CID 91314915) is 3-tert-butyl-2-(2,3-dimethylbutan-2-yl)-1,1,2,3,4-pentamethyl-4-(2,3,3-trimethylbutan-2-yl)cyclopentane.
What is the SMILES notation for 3-tert-butyl-2-(2,3-dimethylbutan-2-yl)-1,1,2,3,4-pentamethyl-4-(2,3,3-trimethylbutan-2-yl)cyclopentane?
The canonical SMILES for 3-tert-butyl-2-(2,3-dimethylbutan-2-yl)-1,1,2,3,4-pentamethyl-4-(2,3,3-trimethylbutan-2-yl)cyclopentane is CC(C)C(C)(C)C1(C)C(C)(C)CC(C)(C(C)(C)C(C)(C)C)C1(C)C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-(2,3-dimethylbutan-2-yl)-1,1,2,3,4-pentamethyl-4-(2,3,3-trimethylbutan-2-yl)cyclopentane?
The InChIKey is KCLILFOFAQGWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54/c1-19(2)23(11,12)27(17)22(9,10)18-25(15,24(13,14)20(3,4)5)26(27,16)21(6,7)8/h19H,18H2,1-17H3.
What are the key properties of 3-tert-butyl-2-(2,3-dimethylbutan-2-yl)-1,1,2,3,4-pentamethyl-4-(2,3,3-trimethylbutan-2-yl)cyclopentane?
3-tert-butyl-2-(2,3-dimethylbutan-2-yl)-1,1,2,3,4-pentamethyl-4-(2,3,3-trimethylbutan-2-yl)cyclopentane has a molecular weight of 378.73 g/mol, XLogP of 9.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-(2,3-dimethylbutan-2-yl)-1,1,2,3,4-pentamethyl-4-(2,3,3-trimethylbutan-2-yl)cyclopentane is sourced from PubChem (CID 91314915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).