1,2-dimethyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane

C12H22 — CID 123505279

IUPAC1,2-dimethyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane
SMILESCC1CC(C2(C)CC2(C)C)C1C
InChIInChI=1S/C12H22/c1-8-6-10(9(8)2)12(5)7-11(12,3)4/h8-10H,6-7H2,1-5H3
InChIKeyXUUKXHKLXAYADX-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.71
Rot. Bonds1

About 1,2-dimethyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane

1,2-dimethyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane (PubChem CID 123505279) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1,2-dimethyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane.

Molecular Properties

Compound Name1,2-dimethyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane
PubChem CID123505279
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1,2-dimethyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane
SMILESCC1CC(C2(C)CC2(C)C)C1C
InChIInChI=1S/C12H22/c1-8-6-10(9(8)2)12(5)7-11(12,3)4/h8-10H,6-7H2,1-5H3
InChIKeyXUUKXHKLXAYADX-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,2R,3R,5S)-2,3,6,6-tetramethylbicyclo[3.1.1]heptane
CID 54037788
ethane;methane;bis(2,3,6,6-tetramethylbicyclo[3.1.1]heptane);yttrium
CID 157116099
1-(3-ethylpentyl)-2-methyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane
CID 123706971
trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane
CID 58443772
3,4,9,9-tetramethyltricyclo[6.1.1.02,6]decane
CID 123688869
2,3,5,5,8,8,9,9,12,12-decamethyl-1,2,3,4,4a,5a,6,6a,7,10,10a,11,11a,12a-tetradecahydrotetracene
CID 22894527
1,2,3,4,5,6-hexamethylcycloheptane
CID 59131994
carbanide;(1S,2S,3R,4R)-1,2,3,4-tetramethylcyclopentane;(yttrium)
CID 163562736
CID 136897890
CID 136897890
(3S,5R)-1,3,5,7,9,11-hexamethylbicyclo[5.5.1]tridecane
CID 59096410
1,2-dimethyl-3-methylsulfanylcyclobutane
CID 123969276
1,2,3,5,7-pentamethylcyclooctane
CID 91401486

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane?
The IUPAC name of 1,2-dimethyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane (CID 123505279) is 1,2-dimethyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane.
What is the SMILES notation for 1,2-dimethyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane?
The canonical SMILES for 1,2-dimethyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane is CC1CC(C2(C)CC2(C)C)C1C.
What is the InChIKey of 1,2-dimethyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane?
The InChIKey is XUUKXHKLXAYADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-8-6-10(9(8)2)12(5)7-11(12,3)4/h8-10H,6-7H2,1-5H3.
What are the key properties of 1,2-dimethyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane?
1,2-dimethyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane has a molecular weight of 166.31 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane is sourced from PubChem (CID 123505279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).