2-(2-methylpropyl)-2-trimethylsilyloxyoct-3-ynenitrile

C15H27NOSi — CID 77230207

IUPAC2-(2-methylpropyl)-2-trimethylsilyloxyoct-3-ynenitrile
SMILESCCCCC#CC(C#N)(CC(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H27NOSi/c1-7-8-9-10-11-15(13-16,12-14(2)3)17-18(4,5)6/h14H,7-9,12H2,1-6H3
InChIKeyVCQSDYSEIKZYOE-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.34
Rot. Bonds6

About 2-(2-methylpropyl)-2-trimethylsilyloxyoct-3-ynenitrile

2-(2-methylpropyl)-2-trimethylsilyloxyoct-3-ynenitrile (PubChem CID 77230207) has the molecular formula C15H27NOSi and a molecular weight of 265.47 g/mol. Its IUPAC name is 2-(2-methylpropyl)-2-trimethylsilyloxyoct-3-ynenitrile.

Molecular Properties

Compound Name2-(2-methylpropyl)-2-trimethylsilyloxyoct-3-ynenitrile
PubChem CID77230207
Molecular FormulaC15H27NOSi
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name2-(2-methylpropyl)-2-trimethylsilyloxyoct-3-ynenitrile
SMILESCCCCC#CC(C#N)(CC(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H27NOSi/c1-7-8-9-10-11-15(13-16,12-14(2)3)17-18(4,5)6/h14H,7-9,12H2,1-6H3
InChIKeyVCQSDYSEIKZYOE-UHFFFAOYSA-N
XLogP4.34
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,7,9-tetramethylicosa-5,15-diyne-4,7-diol
CID 87658422
hex-1-ynoxy(trimethyl)silane
CID 15313177
7,8-dimethyltetradeca-5,9-diyne-7,8-diol
CID 102249526
diethyl(hex-1-ynyl)gallane
CID 177419145
3-butyl-3-trimethylsilyloxyheptanenitrile
CID 87839604
2-chloro-2-methyloct-3-yne
CID 10855756
3-methoxy-3-methylnon-4-yne
CID 101213955
pentadeca-5,10-diyne
CID 15530767
diethyl 2-(2-methyloct-3-yn-2-yl)propanedioate
CID 14382178
7-[(1S)-1-(1-ethoxyethoxy)ethyl]trideca-5,8-diyn-7-ol
CID 101135214
3-(4-methylideneoctan-3-yloxy)butanenitrile
CID 156890398
3-methylnon-4-yn-3-ol
CID 71352867

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-2-trimethylsilyloxyoct-3-ynenitrile?
The IUPAC name of 2-(2-methylpropyl)-2-trimethylsilyloxyoct-3-ynenitrile (CID 77230207) is 2-(2-methylpropyl)-2-trimethylsilyloxyoct-3-ynenitrile.
What is the SMILES notation for 2-(2-methylpropyl)-2-trimethylsilyloxyoct-3-ynenitrile?
The canonical SMILES for 2-(2-methylpropyl)-2-trimethylsilyloxyoct-3-ynenitrile is CCCCC#CC(C#N)(CC(C)C)O[Si](C)(C)C.
What is the InChIKey of 2-(2-methylpropyl)-2-trimethylsilyloxyoct-3-ynenitrile?
The InChIKey is VCQSDYSEIKZYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOSi/c1-7-8-9-10-11-15(13-16,12-14(2)3)17-18(4,5)6/h14H,7-9,12H2,1-6H3.
What are the key properties of 2-(2-methylpropyl)-2-trimethylsilyloxyoct-3-ynenitrile?
2-(2-methylpropyl)-2-trimethylsilyloxyoct-3-ynenitrile has a molecular weight of 265.47 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-2-trimethylsilyloxyoct-3-ynenitrile is sourced from PubChem (CID 77230207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).