1,3,6,6-tetramethylbicyclo[2.2.2]octan-2-ol

C12H22O — CID 23398442

IUPAC1,3,6,6-tetramethylbicyclo[2.2.2]octan-2-ol
SMILESCC1C2CCC(C)(C1O)C(C)(C)C2
InChIInChI=1S/C12H22O/c1-8-9-5-6-12(4,10(8)13)11(2,3)7-9/h8-10,13H,5-7H2,1-4H3
InChIKeyHILPHFLKVNSUCV-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.83
Rot. Bonds

About 1,3,6,6-tetramethylbicyclo[2.2.2]octan-2-ol

1,3,6,6-tetramethylbicyclo[2.2.2]octan-2-ol (PubChem CID 23398442) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1,3,6,6-tetramethylbicyclo[2.2.2]octan-2-ol.

Molecular Properties

Compound Name1,3,6,6-tetramethylbicyclo[2.2.2]octan-2-ol
PubChem CID23398442
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1,3,6,6-tetramethylbicyclo[2.2.2]octan-2-ol
SMILESCC1C2CCC(C)(C1O)C(C)(C)C2
InChIInChI=1S/C12H22O/c1-8-9-5-6-12(4,10(8)13)11(2,3)7-9/h8-10,13H,5-7H2,1-4H3
InChIKeyHILPHFLKVNSUCV-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,3,6,6-tetramethylbicyclo[2.2.2]octan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,2-trimethylbicyclo[2.2.1]heptane-7-carbonitrile
CID 70100007
(1S,2R,4S)-3,3,4-trimethylbicyclo[2.2.1]heptan-2-ol
CID 129408816
1,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one
CID 140738374
(1R,2R,3S,4S)-3-[[(1S,2S,3R,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]diselanyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 15349595
(2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
CID 101471521
4,4-dimethyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan
CID 130381830
3,3',4,4-tetramethylspiro[1,2,3,4a,5,7,8,8a-octahydronaphthalene-6,2'-cyclopropane]-1'-ol
CID 67377373
cis-(1S,5R)-2,2,5-trimethylcyclopentan-1-ol
CID 101036298
2,2,8,9-tetramethyl-octahydro-1H-2,4a-methanonapthalene
CID 138984696
(1R,2S,4S,5R,6R,7R,10R,11S)-13-(2-hydroxyethyl)-5,11-dimethyl-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadecan-6-ol
CID 98475338
(1R,4S,5R,9S,10S,13R,14R,15S)-15-hydroxy-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
CID 162895179
2,2,7-trimethylbicyclo[2.2.1]heptane
CID 18669850

Frequently Asked Questions

What is the IUPAC name of 1,3,6,6-tetramethylbicyclo[2.2.2]octan-2-ol?
The IUPAC name of 1,3,6,6-tetramethylbicyclo[2.2.2]octan-2-ol (CID 23398442) is 1,3,6,6-tetramethylbicyclo[2.2.2]octan-2-ol.
What is the SMILES notation for 1,3,6,6-tetramethylbicyclo[2.2.2]octan-2-ol?
The canonical SMILES for 1,3,6,6-tetramethylbicyclo[2.2.2]octan-2-ol is CC1C2CCC(C)(C1O)C(C)(C)C2.
What is the InChIKey of 1,3,6,6-tetramethylbicyclo[2.2.2]octan-2-ol?
The InChIKey is HILPHFLKVNSUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-8-9-5-6-12(4,10(8)13)11(2,3)7-9/h8-10,13H,5-7H2,1-4H3.
What are the key properties of 1,3,6,6-tetramethylbicyclo[2.2.2]octan-2-ol?
1,3,6,6-tetramethylbicyclo[2.2.2]octan-2-ol has a molecular weight of 182.31 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,6-tetramethylbicyclo[2.2.2]octan-2-ol is sourced from PubChem (CID 23398442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).