(2S)-2-methyl-3-prop-2-enyl-2-trimethylsilyloxyhex-5-enenitrile

C13H23NOSi — CID 10171416

IUPAC(2S)-2-methyl-3-prop-2-enyl-2-trimethylsilyloxyhex-5-enenitrile
SMILESC=CCC(CC=C)[C@@](C)(C#N)O[Si](C)(C)C
InChIInChI=1S/C13H23NOSi/c1-7-9-12(10-8-2)13(3,11-14)15-16(4,5)6/h7-8,12H,1-2,9-10H2,3-6H3/t13-/m1/s1
InChIKeyCWJAVWRBNHVGTQ-CYBMUJFWSA-N
MW237.42 g/mol
LogP3.89
Rot. Bonds7

About (2S)-2-methyl-3-prop-2-enyl-2-trimethylsilyloxyhex-5-enenitrile

(2S)-2-methyl-3-prop-2-enyl-2-trimethylsilyloxyhex-5-enenitrile (PubChem CID 10171416) has the molecular formula C13H23NOSi and a molecular weight of 237.42 g/mol. Its IUPAC name is (2S)-2-methyl-3-prop-2-enyl-2-trimethylsilyloxyhex-5-enenitrile.

Molecular Properties

Compound Name(2S)-2-methyl-3-prop-2-enyl-2-trimethylsilyloxyhex-5-enenitrile
PubChem CID10171416
Molecular FormulaC13H23NOSi
Molecular Weight237.42 g/mol
Exact Mass237.15
IUPAC Name(2S)-2-methyl-3-prop-2-enyl-2-trimethylsilyloxyhex-5-enenitrile
SMILESC=CCC(CC=C)[C@@](C)(C#N)O[Si](C)(C)C
InChIInChI=1S/C13H23NOSi/c1-7-9-12(10-8-2)13(3,11-14)15-16(4,5)6/h7-8,12H,1-2,9-10H2,3-6H3/t13-/m1/s1
InChIKeyCWJAVWRBNHVGTQ-CYBMUJFWSA-N
XLogP3.89
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.42
LogP ≤ 53.89
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 (2S)-2-methyl-3-prop-2-enyl-2-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 (2S)-2-methyl-3-prop-2-enyl-2-trimethylsilyloxyhex-5-enenitrile?
The IUPAC name of (2S)-2-methyl-3-prop-2-enyl-2-trimethylsilyloxyhex-5-enenitrile (CID 10171416) is (2S)-2-methyl-3-prop-2-enyl-2-trimethylsilyloxyhex-5-enenitrile.
What is the SMILES notation for (2S)-2-methyl-3-prop-2-enyl-2-trimethylsilyloxyhex-5-enenitrile?
The canonical SMILES for (2S)-2-methyl-3-prop-2-enyl-2-trimethylsilyloxyhex-5-enenitrile is C=CCC(CC=C)[C@@](C)(C#N)O[Si](C)(C)C.
What is the InChIKey of (2S)-2-methyl-3-prop-2-enyl-2-trimethylsilyloxyhex-5-enenitrile?
The InChIKey is CWJAVWRBNHVGTQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H23NOSi/c1-7-9-12(10-8-2)13(3,11-14)15-16(4,5)6/h7-8,12H,1-2,9-10H2,3-6H3/t13-/m1/s1.
What are the key properties of (2S)-2-methyl-3-prop-2-enyl-2-trimethylsilyloxyhex-5-enenitrile?
(2S)-2-methyl-3-prop-2-enyl-2-trimethylsilyloxyhex-5-enenitrile has a molecular weight of 237.42 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-prop-2-enyl-2-trimethylsilyloxyhex-5-enenitrile is sourced from PubChem (CID 10171416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).