1,2,6,6-tetramethylbicyclo[3.2.1]octane

C12H22 — CID 91498666

IUPAC1,2,6,6-tetramethylbicyclo[3.2.1]octane
SMILESCC1CCC2CC1(C)CC2(C)C
InChIInChI=1S/C12H22/c1-9-5-6-10-7-12(9,4)8-11(10,2)3/h9-10H,5-8H2,1-4H3
InChIKeyRYLMPMRZDSIKFK-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds

About 1,2,6,6-tetramethylbicyclo[3.2.1]octane

1,2,6,6-tetramethylbicyclo[3.2.1]octane (PubChem CID 91498666) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1,2,6,6-tetramethylbicyclo[3.2.1]octane.

Molecular Properties

Compound Name1,2,6,6-tetramethylbicyclo[3.2.1]octane
PubChem CID91498666
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1,2,6,6-tetramethylbicyclo[3.2.1]octane
SMILESCC1CCC2CC1(C)CC2(C)C
InChIInChI=1S/C12H22/c1-9-5-6-10-7-12(9,4)8-11(10,2)3/h9-10H,5-8H2,1-4H3
InChIKeyRYLMPMRZDSIKFK-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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

(2S)-1,1,2-trimethylcyclopropane
CID 25022262
(1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate
CID 524259
(1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol
CID 175971620
azane;1,1,2-trimethylcyclopropane;hydrochloride
CID 174915163
(2R)-1,1,2,5,5-pentamethylcyclohexane
CID 147149776
1,1,2,7-tetramethylcyclooctane
CID 141451493
(1R,2R,4S)-1,2,4-trimethylbicyclo[2.2.1]heptane
CID 140839293
(2S)-1,1,2-trimethylcyclobutane
CID 59954523
(2S)-1,2,3,3-tetramethylbicyclo[2.2.1]heptane
CID 148935877
1,1,2,8-tetramethylcyclononane
CID 123968014
(3aR)-3,3a,6,8,8-pentamethyl-2,3,4,5,7,8a-hexahydro-1H-azulene-5,6-diol
CID 166082831
(1R,4S,11R)-4,6,6,11-tetramethyltricyclo[5.4.0.04,8]undecan-1-ol
CID 101048453

Frequently Asked Questions

What is the IUPAC name of 1,2,6,6-tetramethylbicyclo[3.2.1]octane?
The IUPAC name of 1,2,6,6-tetramethylbicyclo[3.2.1]octane (CID 91498666) is 1,2,6,6-tetramethylbicyclo[3.2.1]octane.
What is the SMILES notation for 1,2,6,6-tetramethylbicyclo[3.2.1]octane?
The canonical SMILES for 1,2,6,6-tetramethylbicyclo[3.2.1]octane is CC1CCC2CC1(C)CC2(C)C.
What is the InChIKey of 1,2,6,6-tetramethylbicyclo[3.2.1]octane?
The InChIKey is RYLMPMRZDSIKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-9-5-6-10-7-12(9,4)8-11(10,2)3/h9-10H,5-8H2,1-4H3.
What are the key properties of 1,2,6,6-tetramethylbicyclo[3.2.1]octane?
1,2,6,6-tetramethylbicyclo[3.2.1]octane has a molecular weight of 166.31 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6,6-tetramethylbicyclo[3.2.1]octane is sourced from PubChem (CID 91498666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).