1-ethyl-5,5-dimethylbicyclo[2.1.1]hexan-2-ol

C10H18O — CID 163889963

IUPAC1-ethyl-5,5-dimethylbicyclo[2.1.1]hexan-2-ol
SMILESCCC12CC(CC1O)C2(C)C
InChIInChI=1S/C10H18O/c1-4-10-6-7(5-8(10)11)9(10,2)3/h7-8,11H,4-6H2,1-3H3
InChIKeyQASDJOBVGFPUSY-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.19
Rot. Bonds1

About 1-ethyl-5,5-dimethylbicyclo[2.1.1]hexan-2-ol

1-ethyl-5,5-dimethylbicyclo[2.1.1]hexan-2-ol (PubChem CID 163889963) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-ethyl-5,5-dimethylbicyclo[2.1.1]hexan-2-ol.

Molecular Properties

Compound Name1-ethyl-5,5-dimethylbicyclo[2.1.1]hexan-2-ol
PubChem CID163889963
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-ethyl-5,5-dimethylbicyclo[2.1.1]hexan-2-ol
SMILESCCC12CC(CC1O)C2(C)C
InChIInChI=1S/C10H18O/c1-4-10-6-7(5-8(10)11)9(10,2)3/h7-8,11H,4-6H2,1-3H3
InChIKeyQASDJOBVGFPUSY-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-5,5-dimethylbicyclo[2.1.1]hexan-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

(1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 14593278
(1R,2R)-7,7-dimethyl-1-(sulfanylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 131173336
[(1S,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
CID 142707993
[(1R,2S,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
CID 174646583
dimethyl 2-[ethyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-lambda4-sulfanylidene]propanedioate
CID 15249281
(1R,2S,4R,6S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,6-diol
CID 124526848
1-ethyl-2-methyltricyclo[3.1.0.02,4]hexane
CID 123154138
(1S,2R,4R,7R)-1,7-bis(iodomethyl)-7-methylbicyclo[2.2.1]heptan-2-ol
CID 11090784
methyl 2-[(R)-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfinyl]prop-2-enoate
CID 11129892
(E)-3-[[(1R,2S,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylselanyl]prop-2-enoic acid
CID 100922161
1-[(2R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-[(1R,2R)-2-[[(4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]cyclohexyl]methanesulfonamide
CID 156666604
ethyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]prop-2-enoate
CID 134881606

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,5-dimethylbicyclo[2.1.1]hexan-2-ol?
The IUPAC name of 1-ethyl-5,5-dimethylbicyclo[2.1.1]hexan-2-ol (CID 163889963) is 1-ethyl-5,5-dimethylbicyclo[2.1.1]hexan-2-ol.
What is the SMILES notation for 1-ethyl-5,5-dimethylbicyclo[2.1.1]hexan-2-ol?
The canonical SMILES for 1-ethyl-5,5-dimethylbicyclo[2.1.1]hexan-2-ol is CCC12CC(CC1O)C2(C)C.
What is the InChIKey of 1-ethyl-5,5-dimethylbicyclo[2.1.1]hexan-2-ol?
The InChIKey is QASDJOBVGFPUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-10-6-7(5-8(10)11)9(10,2)3/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 1-ethyl-5,5-dimethylbicyclo[2.1.1]hexan-2-ol?
1-ethyl-5,5-dimethylbicyclo[2.1.1]hexan-2-ol has a molecular weight of 154.25 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,5-dimethylbicyclo[2.1.1]hexan-2-ol is sourced from PubChem (CID 163889963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).