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

C20H31ClOTe — CID 10599664

IUPACbutyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenyltellanium chloride
SMILESCCCC[Te+](C[C@]12CC[C@H](C[C@H]1O)C2(C)C)c1ccccc1.[Cl-]
InChIInChI=1S/C20H31OTe.ClH/c1-4-5-13-22(17-9-7-6-8-10-17)15-20-12-11-16(14-18(20)21)19(20,2)3;/h6-10,16,18,21H,4-5,11-15H2,1-3H3;1H/q+1;/p-1/t16-,18-,20-;/m1./s1
InChIKeyUMCBYQDUWJOJAF-BUDAEHISSA-M
MW450.52 g/mol
LogP1.38
Rot. Bonds6

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

butyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenyltellanium chloride (PubChem CID 10599664) has the molecular formula C20H31ClOTe and a molecular weight of 450.52 g/mol. Its IUPAC name is butyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenyltellanium chloride.

Molecular Properties

Compound Namebutyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenyltellanium chloride
PubChem CID10599664
Molecular FormulaC20H31ClOTe
Molecular Weight450.52 g/mol
Exact Mass452.11
IUPAC Namebutyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenyltellanium chloride
SMILESCCCC[Te+](C[C@]12CC[C@H](C[C@H]1O)C2(C)C)c1ccccc1.[Cl-]
InChIInChI=1S/C20H31OTe.ClH/c1-4-5-13-22(17-9-7-6-8-10-17)15-20-12-11-16(14-18(20)21)19(20,2)3;/h6-10,16,18,21H,4-5,11-15H2,1-3H3;1H/q+1;/p-1/t16-,18-,20-;/m1./s1
InChIKeyUMCBYQDUWJOJAF-BUDAEHISSA-M
XLogP1.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze butyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenyltellanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenyltellanium chloride?
The IUPAC name of butyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenyltellanium chloride (CID 10599664) is butyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenyltellanium chloride.
What is the SMILES notation for butyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenyltellanium chloride?
The canonical SMILES for butyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenyltellanium chloride is CCCC[Te+](C[C@]12CC[C@H](C[C@H]1O)C2(C)C)c1ccccc1.[Cl-].
What is the InChIKey of butyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenyltellanium chloride?
The InChIKey is UMCBYQDUWJOJAF-BUDAEHISSA-M. The full InChI is InChI=1S/C20H31OTe.ClH/c1-4-5-13-22(17-9-7-6-8-10-17)15-20-12-11-16(14-18(20)21)19(20,2)3;/h6-10,16,18,21H,4-5,11-15H2,1-3H3;1H/q+1;/p-1/t16-,18-,20-;/m1./s1.
What are the key properties of butyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenyltellanium chloride?
butyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenyltellanium chloride has a molecular weight of 450.52 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenyltellanium chloride is sourced from PubChem (CID 10599664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).