2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[hydroxy(dimethyl)silyl]-6-methylheptanenitrile

C18H39NO2Si2 — CID 89366790

IUPAC2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[hydroxy(dimethyl)silyl]-6-methylheptanenitrile
SMILESCC(C)(CCCC(C#N)CCO[Si](C)(C)C(C)(C)C)[Si](C)(C)O
InChIInChI=1S/C18H39NO2Si2/c1-17(2,3)23(8,9)21-14-12-16(15-19)11-10-13-18(4,5)22(6,7)20/h16,20H,10-14H2,1-9H3
InChIKeyDMMMATWQDBVFOK-UHFFFAOYSA-N
MW357.69 g/mol
LogP5.69
Rot. Bonds9

About 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[hydroxy(dimethyl)silyl]-6-methylheptanenitrile

2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[hydroxy(dimethyl)silyl]-6-methylheptanenitrile (PubChem CID 89366790) has the molecular formula C18H39NO2Si2 and a molecular weight of 357.69 g/mol. Its IUPAC name is 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[hydroxy(dimethyl)silyl]-6-methylheptanenitrile.

Molecular Properties

Compound Name2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[hydroxy(dimethyl)silyl]-6-methylheptanenitrile
PubChem CID89366790
Molecular FormulaC18H39NO2Si2
Molecular Weight357.69 g/mol
Exact Mass357.25
IUPAC Name2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[hydroxy(dimethyl)silyl]-6-methylheptanenitrile
SMILESCC(C)(CCCC(C#N)CCO[Si](C)(C)C(C)(C)C)[Si](C)(C)O
InChIInChI=1S/C18H39NO2Si2/c1-17(2,3)23(8,9)21-14-12-16(15-19)11-10-13-18(4,5)22(6,7)20/h16,20H,10-14H2,1-9H3
InChIKeyDMMMATWQDBVFOK-UHFFFAOYSA-N
XLogP5.69
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.69
LogP ≤ 55.69
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 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[hydroxy(dimethyl)silyl]-6-methylheptanenitrile?
The IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[hydroxy(dimethyl)silyl]-6-methylheptanenitrile (CID 89366790) is 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[hydroxy(dimethyl)silyl]-6-methylheptanenitrile.
What is the SMILES notation for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[hydroxy(dimethyl)silyl]-6-methylheptanenitrile?
The canonical SMILES for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[hydroxy(dimethyl)silyl]-6-methylheptanenitrile is CC(C)(CCCC(C#N)CCO[Si](C)(C)C(C)(C)C)[Si](C)(C)O.
What is the InChIKey of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[hydroxy(dimethyl)silyl]-6-methylheptanenitrile?
The InChIKey is DMMMATWQDBVFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO2Si2/c1-17(2,3)23(8,9)21-14-12-16(15-19)11-10-13-18(4,5)22(6,7)20/h16,20H,10-14H2,1-9H3.
What are the key properties of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[hydroxy(dimethyl)silyl]-6-methylheptanenitrile?
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[hydroxy(dimethyl)silyl]-6-methylheptanenitrile has a molecular weight of 357.69 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[hydroxy(dimethyl)silyl]-6-methylheptanenitrile is sourced from PubChem (CID 89366790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).