1,1,2-trimethyl-3-(2-methylbutan-2-yl)cyclobutane

C12H23- — CID 90886074

IUPAC1,1,2-trimethyl-3-(2-methylbutan-2-yl)cyclobutane
SMILESCCC(C)(C)[C-]1CC(C)(C)C1C
InChIInChI=1S/C12H23/c1-7-11(3,4)10-8-12(5,6)9(10)2/h9H,7-8H2,1-6H3/q-1
InChIKeyZKISRISAMBQMKR-UHFFFAOYSA-N
MW167.32 g/mol
LogP4.06
Rot. Bonds2

About 1,1,2-trimethyl-3-(2-methylbutan-2-yl)cyclobutane

1,1,2-trimethyl-3-(2-methylbutan-2-yl)cyclobutane (PubChem CID 90886074) has the molecular formula C12H23- and a molecular weight of 167.32 g/mol. Its IUPAC name is 1,1,2-trimethyl-3-(2-methylbutan-2-yl)cyclobutane.

Molecular Properties

Compound Name1,1,2-trimethyl-3-(2-methylbutan-2-yl)cyclobutane
PubChem CID90886074
Molecular FormulaC12H23-
Molecular Weight167.32 g/mol
Exact Mass167.18
IUPAC Name1,1,2-trimethyl-3-(2-methylbutan-2-yl)cyclobutane
SMILESCCC(C)(C)[C-]1CC(C)(C)C1C
InChIInChI=1S/C12H23/c1-7-11(3,4)10-8-12(5,6)9(10)2/h9H,7-8H2,1-6H3/q-1
InChIKeyZKISRISAMBQMKR-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.32
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-4-ethyl-1,1-dimethylcyclobutane
CID 90808288
1-(2,3-dimethylpentan-3-yl)-1,2-dimethylcyclopropane
CID 123741342
5-(2,2-dimethylbutyl)-1,4-dimethylbicyclo[2.1.0]pentane
CID 123695523
1,1,4,6-tetramethyl-5-(2-methylbutan-2-yl)cycloundecane
CID 90907630
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
1-(1,1-difluoro-2,2,3,3-tetramethylpentyl)-1-fluoro-2-methylcyclopropane
CID 138526002
3-tert-butyl-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81418144
6-(3-ethyl-2,3-dimethylpentan-2-yl)-1,3,4,4,6-pentamethylbicyclo[3.2.0]heptane
CID 123365588
1-(4-bromo-3,3-dimethylpyrrolidin-1-yl)-2,2-dimethylbutan-1-one
CID 130909142
1,1,2-trimethyl-2-(3-methylpentan-3-yl)cyclopropane
CID 142046748
1-ethyl-2,3,3,4,5-pentamethylbicyclo[3.1.0]hexane
CID 123592730
1,1-dichloro-2-(2,2-dimethylbutyl)cyclopropane
CID 89112098

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-3-(2-methylbutan-2-yl)cyclobutane?
The IUPAC name of 1,1,2-trimethyl-3-(2-methylbutan-2-yl)cyclobutane (CID 90886074) is 1,1,2-trimethyl-3-(2-methylbutan-2-yl)cyclobutane.
What is the SMILES notation for 1,1,2-trimethyl-3-(2-methylbutan-2-yl)cyclobutane?
The canonical SMILES for 1,1,2-trimethyl-3-(2-methylbutan-2-yl)cyclobutane is CCC(C)(C)[C-]1CC(C)(C)C1C.
What is the InChIKey of 1,1,2-trimethyl-3-(2-methylbutan-2-yl)cyclobutane?
The InChIKey is ZKISRISAMBQMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23/c1-7-11(3,4)10-8-12(5,6)9(10)2/h9H,7-8H2,1-6H3/q-1.
What are the key properties of 1,1,2-trimethyl-3-(2-methylbutan-2-yl)cyclobutane?
1,1,2-trimethyl-3-(2-methylbutan-2-yl)cyclobutane has a molecular weight of 167.32 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-3-(2-methylbutan-2-yl)cyclobutane is sourced from PubChem (CID 90886074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).