3-cyclohexyl-2,2-bis(trimethylsilyl)-3-trimethylsilyloxypropanenitrile

C18H39NOSi3 — CID 134873239

IUPAC3-cyclohexyl-2,2-bis(trimethylsilyl)-3-trimethylsilyloxypropanenitrile
SMILESC[Si](C)(C)OC(C1CCCCC1)C(C#N)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H39NOSi3/c1-21(2,3)18(15-19,22(4,5)6)17(20-23(7,8)9)16-13-11-10-12-14-16/h16-17H,10-14H2,1-9H3
InChIKeySJSWVOGSFMIFPZ-UHFFFAOYSA-N
MW369.77 g/mol
LogP6.27
Rot. Bonds6

About 3-cyclohexyl-2,2-bis(trimethylsilyl)-3-trimethylsilyloxypropanenitrile

3-cyclohexyl-2,2-bis(trimethylsilyl)-3-trimethylsilyloxypropanenitrile (PubChem CID 134873239) has the molecular formula C18H39NOSi3 and a molecular weight of 369.77 g/mol. Its IUPAC name is 3-cyclohexyl-2,2-bis(trimethylsilyl)-3-trimethylsilyloxypropanenitrile.

Molecular Properties

Compound Name3-cyclohexyl-2,2-bis(trimethylsilyl)-3-trimethylsilyloxypropanenitrile
PubChem CID134873239
Molecular FormulaC18H39NOSi3
Molecular Weight369.77 g/mol
Exact Mass369.23
IUPAC Name3-cyclohexyl-2,2-bis(trimethylsilyl)-3-trimethylsilyloxypropanenitrile
SMILESC[Si](C)(C)OC(C1CCCCC1)C(C#N)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H39NOSi3/c1-21(2,3)18(15-19,22(4,5)6)17(20-23(7,8)9)16-13-11-10-12-14-16/h16-17H,10-14H2,1-9H3
InChIKeySJSWVOGSFMIFPZ-UHFFFAOYSA-N
XLogP6.27
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.77
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-cyclohexyl-2,2-bis(trimethylsilyl)-3-trimethylsilyloxypropanenitrile?
The IUPAC name of 3-cyclohexyl-2,2-bis(trimethylsilyl)-3-trimethylsilyloxypropanenitrile (CID 134873239) is 3-cyclohexyl-2,2-bis(trimethylsilyl)-3-trimethylsilyloxypropanenitrile.
What is the SMILES notation for 3-cyclohexyl-2,2-bis(trimethylsilyl)-3-trimethylsilyloxypropanenitrile?
The canonical SMILES for 3-cyclohexyl-2,2-bis(trimethylsilyl)-3-trimethylsilyloxypropanenitrile is C[Si](C)(C)OC(C1CCCCC1)C(C#N)([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 3-cyclohexyl-2,2-bis(trimethylsilyl)-3-trimethylsilyloxypropanenitrile?
The InChIKey is SJSWVOGSFMIFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NOSi3/c1-21(2,3)18(15-19,22(4,5)6)17(20-23(7,8)9)16-13-11-10-12-14-16/h16-17H,10-14H2,1-9H3.
What are the key properties of 3-cyclohexyl-2,2-bis(trimethylsilyl)-3-trimethylsilyloxypropanenitrile?
3-cyclohexyl-2,2-bis(trimethylsilyl)-3-trimethylsilyloxypropanenitrile has a molecular weight of 369.77 g/mol, XLogP of 6.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2,2-bis(trimethylsilyl)-3-trimethylsilyloxypropanenitrile is sourced from PubChem (CID 134873239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).