(1S,2R,4R)-1-[(butyl-chloro-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol

C20H31ClOTe — CID 15349764

IUPAC(1S,2R,4R)-1-[(butyl-chloro-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCCCC[Te@@](Cl)(C[C@]12CC[C@H](C[C@H]1O)C2(C)C)c1ccccc1
InChIInChI=1S/C20H31ClOTe/c1-4-5-13-23(21,17-9-7-6-8-10-17)15-20-12-11-16(14-18(20)22)19(20,2)3/h6-10,16,18,22H,4-5,11-15H2,1-3H3/t16-,18-,20-/m1/s1
InChIKeyZFXWATAVWWTUKJ-YVWKXTFCSA-N
MW450.52 g/mol
LogP5.07
Rot. Bonds6

About (1S,2R,4R)-1-[(butyl-chloro-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol

(1S,2R,4R)-1-[(butyl-chloro-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 15349764) has the molecular formula C20H31ClOTe and a molecular weight of 450.52 g/mol. Its IUPAC name is (1S,2R,4R)-1-[(butyl-chloro-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2R,4R)-1-[(butyl-chloro-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID15349764
Molecular FormulaC20H31ClOTe
Molecular Weight450.52 g/mol
Exact Mass452.11
IUPAC Name(1S,2R,4R)-1-[(butyl-chloro-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCCCC[Te@@](Cl)(C[C@]12CC[C@H](C[C@H]1O)C2(C)C)c1ccccc1
InChIInChI=1S/C20H31ClOTe/c1-4-5-13-23(21,17-9-7-6-8-10-17)15-20-12-11-16(14-18(20)22)19(20,2)3/h6-10,16,18,22H,4-5,11-15H2,1-3H3/t16-,18-,20-/m1/s1
InChIKeyZFXWATAVWWTUKJ-YVWKXTFCSA-N
XLogP5.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.52
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-1-[(butyl-chloro-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2R,4R)-1-[(butyl-chloro-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol (CID 15349764) is (1S,2R,4R)-1-[(butyl-chloro-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2R,4R)-1-[(butyl-chloro-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2R,4R)-1-[(butyl-chloro-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol is CCCC[Te@@](Cl)(C[C@]12CC[C@H](C[C@H]1O)C2(C)C)c1ccccc1.
What is the InChIKey of (1S,2R,4R)-1-[(butyl-chloro-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is ZFXWATAVWWTUKJ-YVWKXTFCSA-N. The full InChI is InChI=1S/C20H31ClOTe/c1-4-5-13-23(21,17-9-7-6-8-10-17)15-20-12-11-16(14-18(20)22)19(20,2)3/h6-10,16,18,22H,4-5,11-15H2,1-3H3/t16-,18-,20-/m1/s1.
What are the key properties of (1S,2R,4R)-1-[(butyl-chloro-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
(1S,2R,4R)-1-[(butyl-chloro-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 450.52 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-1-[(butyl-chloro-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 15349764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).