benzyl-hexyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]tellanium

C23H37OTe+ — CID 100914427

IUPACbenzyl-hexyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]tellanium
SMILESCCCCCC[Te+](Cc1ccccc1)C[C@]12CC[C@H](C[C@H]1O)C2(C)C
InChIInChI=1S/C23H37OTe/c1-4-5-6-10-15-25(17-19-11-8-7-9-12-19)18-23-14-13-20(16-21(23)24)22(23,2)3/h7-9,11-12,20-21,24H,4-6,10,13-18H2,1-3H3/q+1/t20-,21-,23-/m1/s1
InChIKeySZKWROXYSYTMKO-MQSCRBSSSA-N
MW457.15 g/mol
LogP6.03
Rot. Bonds9

About benzyl-hexyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]tellanium

benzyl-hexyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]tellanium (PubChem CID 100914427) has the molecular formula C23H37OTe+ and a molecular weight of 457.15 g/mol. Its IUPAC name is benzyl-hexyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]tellanium.

Molecular Properties

Compound Namebenzyl-hexyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]tellanium
PubChem CID100914427
Molecular FormulaC23H37OTe+
Molecular Weight457.15 g/mol
Exact Mass459.19
IUPAC Namebenzyl-hexyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]tellanium
SMILESCCCCCC[Te+](Cc1ccccc1)C[C@]12CC[C@H](C[C@H]1O)C2(C)C
InChIInChI=1S/C23H37OTe/c1-4-5-6-10-15-25(17-19-11-8-7-9-12-19)18-23-14-13-20(16-21(23)24)22(23,2)3/h7-9,11-12,20-21,24H,4-6,10,13-18H2,1-3H3/q+1/t20-,21-,23-/m1/s1
InChIKeySZKWROXYSYTMKO-MQSCRBSSSA-N
XLogP6.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.15
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze benzyl-hexyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]tellanium with MolForge

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Launch Full Analysis

Related Compounds

(1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 14593278
[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl-methyl-phenylselanium chloride
CID 11057487
1-(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-N-phenylmethanesulfonamide
CID 74033660
1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 118200054
octanoic acid;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175142165
(1S,2R,4R)-1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 118194633
(1R,2R)-7,7-dimethyl-1-(sulfanylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 131173336
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
2-amino-2-fluoro-3-phenylpropanoic acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 67784339
(1-octylcyclohexyl)methylbenzene
CID 90738886
benzyl-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium
CID 23309137
(1S,2R,4R)-7,7-dimethyl-1-[[(S)-[(E)-2-(2-phenyl-1,3-dithian-2-yl)ethenyl]sulfinyl]methyl]bicyclo[2.2.1]heptan-2-ol
CID 11761643

Frequently Asked Questions

What is the IUPAC name of benzyl-hexyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]tellanium?
The IUPAC name of benzyl-hexyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]tellanium (CID 100914427) is benzyl-hexyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]tellanium.
What is the SMILES notation for benzyl-hexyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]tellanium?
The canonical SMILES for benzyl-hexyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]tellanium is CCCCCC[Te+](Cc1ccccc1)C[C@]12CC[C@H](C[C@H]1O)C2(C)C.
What is the InChIKey of benzyl-hexyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]tellanium?
The InChIKey is SZKWROXYSYTMKO-MQSCRBSSSA-N. The full InChI is InChI=1S/C23H37OTe/c1-4-5-6-10-15-25(17-19-11-8-7-9-12-19)18-23-14-13-20(16-21(23)24)22(23,2)3/h7-9,11-12,20-21,24H,4-6,10,13-18H2,1-3H3/q+1/t20-,21-,23-/m1/s1.
What are the key properties of benzyl-hexyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]tellanium?
benzyl-hexyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]tellanium has a molecular weight of 457.15 g/mol, XLogP of 6.03, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-hexyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]tellanium is sourced from PubChem (CID 100914427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).