1-(2-hydroxy-7-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-one

C12H20O2 — CID 5227829

IUPAC1-(2-hydroxy-7-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1C2CCC1C(O)C2
InChIInChI=1S/C12H20O2/c1-12(2,3)11(14)10-7-4-5-8(10)9(13)6-7/h7-10,13H,4-6H2,1-3H3
InChIKeyZWZLHVUUCNUVLH-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.01
Rot. Bonds1

About 1-(2-hydroxy-7-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-one

1-(2-hydroxy-7-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-one (PubChem CID 5227829) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(2-hydroxy-7-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2-hydroxy-7-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-one
PubChem CID5227829
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-(2-hydroxy-7-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1C2CCC1C(O)C2
InChIInChI=1S/C12H20O2/c1-12(2,3)11(14)10-7-4-5-8(10)9(13)6-7/h7-10,13H,4-6H2,1-3H3
InChIKeyZWZLHVUUCNUVLH-UHFFFAOYSA-N
XLogP2.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(+)-exo-5-Hydroxycamphor
CID 447414
5-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 189214
(1S,4S,5S)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 21145050
3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 2770470
3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 287668
6-Hydroxycamphor
CID 25478
(+)-6-Endo-hydroxycamphor
CID 57339278
2-Hydroxy-1-methylbicyclo[2.2.1]heptane-7-carboxylic acid
CID 296976
Hydroxy-3-endo-bornanone-2
CID 140836
2-Bornanone, 3-hydroxy-, exo-
CID 185510
5-Hydroxy-1,7,7-trimethylbicyclo(2.2.1)heptan-2-one
CID 440017
(1R,2S,7S,8S,9R)-8-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-11-one
CID 10955556

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-7-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2-hydroxy-7-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-one (CID 5227829) is 1-(2-hydroxy-7-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2-hydroxy-7-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2-hydroxy-7-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1C2CCC1C(O)C2.
What is the InChIKey of 1-(2-hydroxy-7-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-one?
The InChIKey is ZWZLHVUUCNUVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-12(2,3)11(14)10-7-4-5-8(10)9(13)6-7/h7-10,13H,4-6H2,1-3H3.
What are the key properties of 1-(2-hydroxy-7-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-one?
1-(2-hydroxy-7-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-one has a molecular weight of 196.29 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-7-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 5227829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).