(3S)-3-methyl-3-trimethylsilyloxyhex-5-enenitrile

C10H19NOSi — CID 134836227

IUPAC(3S)-3-methyl-3-trimethylsilyloxyhex-5-enenitrile
SMILESC=CC[C@@](C)(CC#N)O[Si](C)(C)C
InChIInChI=1S/C10H19NOSi/c1-6-7-10(2,8-9-11)12-13(3,4)5/h6H,1,7-8H2,2-5H3/t10-/m0/s1
InChIKeyAHRSWBHNUUKFGR-JTQLQIEISA-N
MW197.35 g/mol
LogP3.09
Rot. Bonds5

About (3S)-3-methyl-3-trimethylsilyloxyhex-5-enenitrile

(3S)-3-methyl-3-trimethylsilyloxyhex-5-enenitrile (PubChem CID 134836227) has the molecular formula C10H19NOSi and a molecular weight of 197.35 g/mol. Its IUPAC name is (3S)-3-methyl-3-trimethylsilyloxyhex-5-enenitrile.

Molecular Properties

Compound Name(3S)-3-methyl-3-trimethylsilyloxyhex-5-enenitrile
PubChem CID134836227
Molecular FormulaC10H19NOSi
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name(3S)-3-methyl-3-trimethylsilyloxyhex-5-enenitrile
SMILESC=CC[C@@](C)(CC#N)O[Si](C)(C)C
InChIInChI=1S/C10H19NOSi/c1-6-7-10(2,8-9-11)12-13(3,4)5/h6H,1,7-8H2,2-5H3/t10-/m0/s1
InChIKeyAHRSWBHNUUKFGR-JTQLQIEISA-N
XLogP3.09
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-3-methyl-3-trimethylsilyloxyhex-5-enenitrile 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 (3S)-3-methyl-3-trimethylsilyloxyhex-5-enenitrile?
The IUPAC name of (3S)-3-methyl-3-trimethylsilyloxyhex-5-enenitrile (CID 134836227) is (3S)-3-methyl-3-trimethylsilyloxyhex-5-enenitrile.
What is the SMILES notation for (3S)-3-methyl-3-trimethylsilyloxyhex-5-enenitrile?
The canonical SMILES for (3S)-3-methyl-3-trimethylsilyloxyhex-5-enenitrile is C=CC[C@@](C)(CC#N)O[Si](C)(C)C.
What is the InChIKey of (3S)-3-methyl-3-trimethylsilyloxyhex-5-enenitrile?
The InChIKey is AHRSWBHNUUKFGR-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19NOSi/c1-6-7-10(2,8-9-11)12-13(3,4)5/h6H,1,7-8H2,2-5H3/t10-/m0/s1.
What are the key properties of (3S)-3-methyl-3-trimethylsilyloxyhex-5-enenitrile?
(3S)-3-methyl-3-trimethylsilyloxyhex-5-enenitrile has a molecular weight of 197.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-3-trimethylsilyloxyhex-5-enenitrile is sourced from PubChem (CID 134836227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).