1-(2-bicyclo[2.1.1]hexanyl)ethanol

C8H14O — CID 105427290

IUPAC1-(2-bicyclo[2.1.1]hexanyl)ethanol
SMILESCC(O)C1CC2CC1C2
InChIInChI=1S/C8H14O/c1-5(9)8-4-6-2-7(8)3-6/h5-9H,2-4H2,1H3
InChIKeyPUDYAMAJBKLRHT-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.41
Rot. Bonds1

About 1-(2-bicyclo[2.1.1]hexanyl)ethanol

1-(2-bicyclo[2.1.1]hexanyl)ethanol (PubChem CID 105427290) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-(2-bicyclo[2.1.1]hexanyl)ethanol.

Molecular Properties

Compound Name1-(2-bicyclo[2.1.1]hexanyl)ethanol
PubChem CID105427290
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-(2-bicyclo[2.1.1]hexanyl)ethanol
SMILESCC(O)C1CC2CC1C2
InChIInChI=1S/C8H14O/c1-5(9)8-4-6-2-7(8)3-6/h5-9H,2-4H2,1H3
InChIKeyPUDYAMAJBKLRHT-UHFFFAOYSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 134975675
(1R)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 130127391
2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane
CID 153320266
1-(2-cyclopropylcyclopropyl)ethanol
CID 130149488
1-(1-azatricyclo[3.3.1.13,7]decan-4-yl)ethanol
CID 141266412
1-(2-adamantylamino)ethanol
CID 142760557
1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol
CID 20721971
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
1-[(1R,2R)-2-tert-butylcyclopropyl]ethanol
CID 67159862
magnesium;propan-2-ol;iodide
CID 173010280
2-(1-hydroxyethyl)-4,5-dimethylcyclohexan-1-ol
CID 23443116
1-[(1S,2S)-2-(1-hydroxyethyl)cyclopropyl]ethanone
CID 170449125

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.1.1]hexanyl)ethanol?
The IUPAC name of 1-(2-bicyclo[2.1.1]hexanyl)ethanol (CID 105427290) is 1-(2-bicyclo[2.1.1]hexanyl)ethanol.
What is the SMILES notation for 1-(2-bicyclo[2.1.1]hexanyl)ethanol?
The canonical SMILES for 1-(2-bicyclo[2.1.1]hexanyl)ethanol is CC(O)C1CC2CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.1.1]hexanyl)ethanol?
The InChIKey is PUDYAMAJBKLRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-5(9)8-4-6-2-7(8)3-6/h5-9H,2-4H2,1H3.
What are the key properties of 1-(2-bicyclo[2.1.1]hexanyl)ethanol?
1-(2-bicyclo[2.1.1]hexanyl)ethanol has a molecular weight of 126.20 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.1.1]hexanyl)ethanol is sourced from PubChem (CID 105427290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).