[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl-methyl-phenylselanium chloride

C17H25ClOSe — CID 11057487

IUPAC[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl-methyl-phenylselanium chloride
SMILESC[Se+](C[C@]12CC[C@H](C[C@H]1O)C2(C)C)c1ccccc1.[Cl-]
InChIInChI=1S/C17H25OSe.ClH/c1-16(2)13-9-10-17(16,15(18)11-13)12-19(3)14-7-5-4-6-8-14;/h4-8,13,15,18H,9-12H2,1-3H3;1H/q+1;/p-1/t13-,15-,17-,19?;/m1./s1
InChIKeyPHWSTRYCBUKSAP-GFHKHZIRSA-M
MW359.80 g/mol
LogP0.21
Rot. Bonds3

About [(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl-methyl-phenylselanium chloride

[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl-methyl-phenylselanium chloride (PubChem CID 11057487) has the molecular formula C17H25ClOSe and a molecular weight of 359.80 g/mol. Its IUPAC name is [(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl-methyl-phenylselanium chloride.

Molecular Properties

Compound Name[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl-methyl-phenylselanium chloride
PubChem CID11057487
Molecular FormulaC17H25ClOSe
Molecular Weight359.80 g/mol
Exact Mass360.08
IUPAC Name[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl-methyl-phenylselanium chloride
SMILESC[Se+](C[C@]12CC[C@H](C[C@H]1O)C2(C)C)c1ccccc1.[Cl-]
InChIInChI=1S/C17H25OSe.ClH/c1-16(2)13-9-10-17(16,15(18)11-13)12-19(3)14-7-5-4-6-8-14;/h4-8,13,15,18H,9-12H2,1-3H3;1H/q+1;/p-1/t13-,15-,17-,19?;/m1./s1
InChIKeyPHWSTRYCBUKSAP-GFHKHZIRSA-M
XLogP0.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.80
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(1,3-dimethoxy-1,3-dioxopropan-2-yl)-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyl]-phenylselanium
CID 100978582
(1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 14593278
1-(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-N-phenylmethanesulfonamide
CID 74033660
(1R,2R)-7,7-dimethyl-1-(sulfanylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 131173336
benzyl-hexyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]tellanium
CID 100914427
[(Z)-3-oxo-1-phenylprop-1-enyl] [(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfinate
CID 134922385
(1S,2R,4R)-1-[(4-fluorophenyl)seleninylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 15781236
[(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
1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 118200054
(1S,2R,4R)-1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 118194633
1-[(1S,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-[[4-[[[(1S,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]methyl]phenyl]methyl]methanesulfonamide
CID 101248125

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl-methyl-phenylselanium chloride?
The IUPAC name of [(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl-methyl-phenylselanium chloride (CID 11057487) is [(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl-methyl-phenylselanium chloride.
What is the SMILES notation for [(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl-methyl-phenylselanium chloride?
The canonical SMILES for [(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl-methyl-phenylselanium chloride is C[Se+](C[C@]12CC[C@H](C[C@H]1O)C2(C)C)c1ccccc1.[Cl-].
What is the InChIKey of [(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl-methyl-phenylselanium chloride?
The InChIKey is PHWSTRYCBUKSAP-GFHKHZIRSA-M. The full InChI is InChI=1S/C17H25OSe.ClH/c1-16(2)13-9-10-17(16,15(18)11-13)12-19(3)14-7-5-4-6-8-14;/h4-8,13,15,18H,9-12H2,1-3H3;1H/q+1;/p-1/t13-,15-,17-,19?;/m1./s1.
What are the key properties of [(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl-methyl-phenylselanium chloride?
[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl-methyl-phenylselanium chloride has a molecular weight of 359.80 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl-methyl-phenylselanium chloride is sourced from PubChem (CID 11057487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).