4-cyclobutyl-1,1,2-trimethylcyclopentane

C12H22 — CID 148918740

IUPAC4-cyclobutyl-1,1,2-trimethylcyclopentane
SMILESCC1CC(C2CCC2)CC1(C)C
InChIInChI=1S/C12H22/c1-9-7-11(8-12(9,2)3)10-5-4-6-10/h9-11H,4-8H2,1-3H3
InChIKeyPKCASEZZMHZRBF-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds1

About 4-cyclobutyl-1,1,2-trimethylcyclopentane

4-cyclobutyl-1,1,2-trimethylcyclopentane (PubChem CID 148918740) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 4-cyclobutyl-1,1,2-trimethylcyclopentane.

Molecular Properties

Compound Name4-cyclobutyl-1,1,2-trimethylcyclopentane
PubChem CID148918740
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name4-cyclobutyl-1,1,2-trimethylcyclopentane
SMILESCC1CC(C2CCC2)CC1(C)C
InChIInChI=1S/C12H22/c1-9-7-11(8-12(9,2)3)10-5-4-6-10/h9-11H,4-8H2,1-3H3
InChIKeyPKCASEZZMHZRBF-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

trans-(2S,4S)-1,1,2,4-tetramethylcyclopentane
CID 6427704
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
tricyclo[11.3.0.05,9]hexadecane
CID 154595560
N-(3,3,4-trimethylcyclopentyl)cyclohexanamine
CID 170208159
(2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]
CID 162269699
1,1,2,7-tetramethylcyclooctane
CID 141451493
(2,2-dimethylcyclopropyl)cyclopentane
CID 90922823
6-ethyl-4,4,6,7-tetramethyl-1,2,3,4a,5,7,8,8a-octahydronaphthalene
CID 174846059
1,2,3,3a,4,5,6,6a-octahydropentalene;cyclopentane;ethane
CID 161297906
4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene
CID 123277009
6,6-dimethylbicyclo[3.2.1]octane
CID 154531364
1,1,2,8-tetramethylcyclononane
CID 123968014

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-1,1,2-trimethylcyclopentane?
The IUPAC name of 4-cyclobutyl-1,1,2-trimethylcyclopentane (CID 148918740) is 4-cyclobutyl-1,1,2-trimethylcyclopentane.
What is the SMILES notation for 4-cyclobutyl-1,1,2-trimethylcyclopentane?
The canonical SMILES for 4-cyclobutyl-1,1,2-trimethylcyclopentane is CC1CC(C2CCC2)CC1(C)C.
What is the InChIKey of 4-cyclobutyl-1,1,2-trimethylcyclopentane?
The InChIKey is PKCASEZZMHZRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-9-7-11(8-12(9,2)3)10-5-4-6-10/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-cyclobutyl-1,1,2-trimethylcyclopentane?
4-cyclobutyl-1,1,2-trimethylcyclopentane has a molecular weight of 166.31 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-1,1,2-trimethylcyclopentane is sourced from PubChem (CID 148918740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).