3-butyl-3-trimethylsilyloxyheptanenitrile

C14H29NOSi — CID 87839604

IUPAC3-butyl-3-trimethylsilyloxyheptanenitrile
SMILESCCCCC(CC#N)(CCCC)O[Si](C)(C)C
InChIInChI=1S/C14H29NOSi/c1-6-8-10-14(12-13-15,11-9-7-2)16-17(3,4)5/h6-12H2,1-5H3
InChIKeyVZYPWZVIULVMKQ-UHFFFAOYSA-N
MW255.48 g/mol
LogP4.87
Rot. Bonds9

About 3-butyl-3-trimethylsilyloxyheptanenitrile

3-butyl-3-trimethylsilyloxyheptanenitrile (PubChem CID 87839604) has the molecular formula C14H29NOSi and a molecular weight of 255.48 g/mol. Its IUPAC name is 3-butyl-3-trimethylsilyloxyheptanenitrile.

Molecular Properties

Compound Name3-butyl-3-trimethylsilyloxyheptanenitrile
PubChem CID87839604
Molecular FormulaC14H29NOSi
Molecular Weight255.48 g/mol
Exact Mass255.20
IUPAC Name3-butyl-3-trimethylsilyloxyheptanenitrile
SMILESCCCCC(CC#N)(CCCC)O[Si](C)(C)C
InChIInChI=1S/C14H29NOSi/c1-6-8-10-14(12-13-15,11-9-7-2)16-17(3,4)5/h6-12H2,1-5H3
InChIKeyVZYPWZVIULVMKQ-UHFFFAOYSA-N
XLogP4.87
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.48
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-5-(5-butylnonan-5-yloxy)nonane
CID 57230356
4-(1-fluoroethenyl)oct-1-yn-4-yloxy-trimethylsilane
CID 12801788
(2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-methylheptanenitrile
CID 134967925
2-butyl-2-[difluoro(methyl)silyl]propanedinitrile
CID 140812693
tris(3-ethylheptan-3-yl) phosphite
CID 175009117
(2R)-2-phenyl-2-trimethylsilyloxynonanenitrile
CID 129403873
trimethyl-(1-silyloxy-1-trimethylsilyloxyundecoxy)silane
CID 123304582
trimethyl-[(Z)-5-methylnon-2-en-5-yl]oxysilane
CID 161469937
3-hydroxy-3-propylhexanenitrile
CID 114867092
5-propylnonan-5-yloxyphosphane
CID 23352969
4-trimethylsilyloxyheptan-4-ylphosphane
CID 102499494
2-(2-methylpropyl)-2-trimethylsilyloxyoct-3-ynenitrile
CID 77230207

Frequently Asked Questions

What is the IUPAC name of 3-butyl-3-trimethylsilyloxyheptanenitrile?
The IUPAC name of 3-butyl-3-trimethylsilyloxyheptanenitrile (CID 87839604) is 3-butyl-3-trimethylsilyloxyheptanenitrile.
What is the SMILES notation for 3-butyl-3-trimethylsilyloxyheptanenitrile?
The canonical SMILES for 3-butyl-3-trimethylsilyloxyheptanenitrile is CCCCC(CC#N)(CCCC)O[Si](C)(C)C.
What is the InChIKey of 3-butyl-3-trimethylsilyloxyheptanenitrile?
The InChIKey is VZYPWZVIULVMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOSi/c1-6-8-10-14(12-13-15,11-9-7-2)16-17(3,4)5/h6-12H2,1-5H3.
What are the key properties of 3-butyl-3-trimethylsilyloxyheptanenitrile?
3-butyl-3-trimethylsilyloxyheptanenitrile has a molecular weight of 255.48 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3-trimethylsilyloxyheptanenitrile is sourced from PubChem (CID 87839604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).