7-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane

C12H22 — CID 58592691

IUPAC7-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane
SMILESCC(C)(C)CC1C2CCC1CC2
InChIInChI=1S/C12H22/c1-12(2,3)8-11-9-4-5-10(11)7-6-9/h9-11H,4-8H2,1-3H3
InChIKeyQTRSZZOTGVULGZ-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds1

About 7-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane

7-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane (PubChem CID 58592691) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 7-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane
PubChem CID58592691
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name7-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane
SMILESCC(C)(C)CC1C2CCC1CC2
InChIInChI=1S/C12H22/c1-12(2,3)8-11-9-4-5-10(11)7-6-9/h9-11H,4-8H2,1-3H3
InChIKeyQTRSZZOTGVULGZ-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

6-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane
CID 140612172
3,5-bis(2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane
CID 144521814
3-(2,2-dimethylpropyl)-2-silabicyclo[2.2.1]heptane
CID 101334913
2,2-dimethylpropane;2,2-dimethylpropylcyclobutane
CID 167591215
1,4-bis(2,2-dimethylpropyl)cyclohexane;2,2,7,7-tetramethyloctane
CID 160533603
1-(2,2-dimethylpropyl)-3-methylcyclopentane
CID 58530421
2-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.0.03,8]decane
CID 153435429
5-(2,2-dimethylpropyl)-3,4-diazatricyclo[6.2.1.02,7]undecane
CID 141194212
(2R)-2-(2,2-dimethylpropyl)oxirane
CID 15053925
3-(2,2-dimethylpropyl)pyrrolidin-1-ium-2-one
CID 147196246
(3S)-3-(2,2-dimethylpropyl)oxolane
CID 139100718
8-(2,2-dimethylpropyl)bicyclo[4.3.1]decane
CID 140778092

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane?
The IUPAC name of 7-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane (CID 58592691) is 7-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 7-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 7-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane is CC(C)(C)CC1C2CCC1CC2.
What is the InChIKey of 7-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane?
The InChIKey is QTRSZZOTGVULGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-12(2,3)8-11-9-4-5-10(11)7-6-9/h9-11H,4-8H2,1-3H3.
What are the key properties of 7-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane?
7-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane 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 7-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 58592691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).