6-ethyl-3,3-dimethylbicyclo[3.2.1]octane

C12H22 — CID 123209192

IUPAC6-ethyl-3,3-dimethylbicyclo[3.2.1]octane
SMILESCCC1CC2CC1CC(C)(C)C2
InChIInChI=1S/C12H22/c1-4-10-5-9-6-11(10)8-12(2,3)7-9/h9-11H,4-8H2,1-3H3
InChIKeyUZFSZYZTTZMSAX-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds1

About 6-ethyl-3,3-dimethylbicyclo[3.2.1]octane

6-ethyl-3,3-dimethylbicyclo[3.2.1]octane (PubChem CID 123209192) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 6-ethyl-3,3-dimethylbicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-ethyl-3,3-dimethylbicyclo[3.2.1]octane
PubChem CID123209192
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name6-ethyl-3,3-dimethylbicyclo[3.2.1]octane
SMILESCCC1CC2CC1CC(C)(C)C2
InChIInChI=1S/C12H22/c1-4-10-5-9-6-11(10)8-12(2,3)7-9/h9-11H,4-8H2,1-3H3
InChIKeyUZFSZYZTTZMSAX-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

5,5-dimethyltricyclo[5.2.1.03,9]decane
CID 123402715
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353
(6-ethyl-2-methyl-2-bicyclo[2.2.1]heptanyl)methanol
CID 89090386
1-ethyladamantane;2-ethylbicyclo[2.2.1]heptane;1-ethyl-3-methyladamantane;methane;1-methyladamantane;3-methyltricyclo[3.3.1.03,7]nonane
CID 157362104
1,1-dimethyl-3-propylcyclobutane
CID 19073360
3-ethyl-2-methylbicyclo[3.3.1]nonane
CID 148913731
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbicyclo[2.2.1]heptane
CID 19890420
2-ethyl-4-methylbicyclo[3.1.1]heptane
CID 148678391
5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane
CID 143329960
(1R,5R)-2-ethylbicyclo[3.3.1]nonane
CID 143508540
2-ethyl-3,3,6,6-tetramethyl-1,2,4,4a,5,7,8,8a-octahydronaphthalene
CID 134158825

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,3-dimethylbicyclo[3.2.1]octane?
The IUPAC name of 6-ethyl-3,3-dimethylbicyclo[3.2.1]octane (CID 123209192) is 6-ethyl-3,3-dimethylbicyclo[3.2.1]octane.
What is the SMILES notation for 6-ethyl-3,3-dimethylbicyclo[3.2.1]octane?
The canonical SMILES for 6-ethyl-3,3-dimethylbicyclo[3.2.1]octane is CCC1CC2CC1CC(C)(C)C2.
What is the InChIKey of 6-ethyl-3,3-dimethylbicyclo[3.2.1]octane?
The InChIKey is UZFSZYZTTZMSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-10-5-9-6-11(10)8-12(2,3)7-9/h9-11H,4-8H2,1-3H3.
What are the key properties of 6-ethyl-3,3-dimethylbicyclo[3.2.1]octane?
6-ethyl-3,3-dimethylbicyclo[3.2.1]octane 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 6-ethyl-3,3-dimethylbicyclo[3.2.1]octane is sourced from PubChem (CID 123209192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).