(3S,4S)-3-hydroxy-5-methyl-2,2-diphenyl-4-trimethylsilyloxyhexanenitrile

C22H29NO2Si — CID 71818171

IUPAC(3S,4S)-3-hydroxy-5-methyl-2,2-diphenyl-4-trimethylsilyloxyhexanenitrile
SMILESCC(C)[C@H](O[Si](C)(C)C)[C@@H](O)C(C#N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO2Si/c1-17(2)20(25-26(3,4)5)21(24)22(16-23,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20-21,24H,1-5H3/t20-,21+/m0/s1
InChIKeyOTWOKWJSAOBTNS-LEWJYISDSA-N
MW367.56 g/mol
LogP4.73
Rot. Bonds7

About (3S,4S)-3-hydroxy-5-methyl-2,2-diphenyl-4-trimethylsilyloxyhexanenitrile

(3S,4S)-3-hydroxy-5-methyl-2,2-diphenyl-4-trimethylsilyloxyhexanenitrile (PubChem CID 71818171) has the molecular formula C22H29NO2Si and a molecular weight of 367.56 g/mol. Its IUPAC name is (3S,4S)-3-hydroxy-5-methyl-2,2-diphenyl-4-trimethylsilyloxyhexanenitrile.

Molecular Properties

Compound Name(3S,4S)-3-hydroxy-5-methyl-2,2-diphenyl-4-trimethylsilyloxyhexanenitrile
PubChem CID71818171
Molecular FormulaC22H29NO2Si
Molecular Weight367.56 g/mol
Exact Mass367.20
IUPAC Name(3S,4S)-3-hydroxy-5-methyl-2,2-diphenyl-4-trimethylsilyloxyhexanenitrile
SMILESCC(C)[C@H](O[Si](C)(C)C)[C@@H](O)C(C#N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO2Si/c1-17(2)20(25-26(3,4)5)21(24)22(16-23,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20-21,24H,1-5H3/t20-,21+/m0/s1
InChIKeyOTWOKWJSAOBTNS-LEWJYISDSA-N
XLogP4.73
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3S,4S)-3-hydroxy-5-methyl-2,2-diphenyl-4-trimethylsilyloxyhexanenitrile?
The IUPAC name of (3S,4S)-3-hydroxy-5-methyl-2,2-diphenyl-4-trimethylsilyloxyhexanenitrile (CID 71818171) is (3S,4S)-3-hydroxy-5-methyl-2,2-diphenyl-4-trimethylsilyloxyhexanenitrile.
What is the SMILES notation for (3S,4S)-3-hydroxy-5-methyl-2,2-diphenyl-4-trimethylsilyloxyhexanenitrile?
The canonical SMILES for (3S,4S)-3-hydroxy-5-methyl-2,2-diphenyl-4-trimethylsilyloxyhexanenitrile is CC(C)[C@H](O[Si](C)(C)C)[C@@H](O)C(C#N)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,4S)-3-hydroxy-5-methyl-2,2-diphenyl-4-trimethylsilyloxyhexanenitrile?
The InChIKey is OTWOKWJSAOBTNS-LEWJYISDSA-N. The full InChI is InChI=1S/C22H29NO2Si/c1-17(2)20(25-26(3,4)5)21(24)22(16-23,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20-21,24H,1-5H3/t20-,21+/m0/s1.
What are the key properties of (3S,4S)-3-hydroxy-5-methyl-2,2-diphenyl-4-trimethylsilyloxyhexanenitrile?
(3S,4S)-3-hydroxy-5-methyl-2,2-diphenyl-4-trimethylsilyloxyhexanenitrile has a molecular weight of 367.56 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-hydroxy-5-methyl-2,2-diphenyl-4-trimethylsilyloxyhexanenitrile is sourced from PubChem (CID 71818171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).