2-(2,2,3,3,6-pentamethyloxadisilinan-6-yl)acetonitrile

C10H21NOSi2 — CID 70563507

IUPAC2-(2,2,3,3,6-pentamethyloxadisilinan-6-yl)acetonitrile
SMILESCC1(CC#N)CC[Si](C)(C)[Si](C)(C)O1
InChIInChI=1S/C10H21NOSi2/c1-10(6-8-11)7-9-13(2,3)14(4,5)12-10/h6-7,9H2,1-5H3
InChIKeyRGDSATAKNHCURV-UHFFFAOYSA-N
MW227.46 g/mol
LogP3.07
Rot. Bonds1

About 2-(2,2,3,3,6-pentamethyloxadisilinan-6-yl)acetonitrile

2-(2,2,3,3,6-pentamethyloxadisilinan-6-yl)acetonitrile (PubChem CID 70563507) has the molecular formula C10H21NOSi2 and a molecular weight of 227.46 g/mol. Its IUPAC name is 2-(2,2,3,3,6-pentamethyloxadisilinan-6-yl)acetonitrile.

Molecular Properties

Compound Name2-(2,2,3,3,6-pentamethyloxadisilinan-6-yl)acetonitrile
PubChem CID70563507
Molecular FormulaC10H21NOSi2
Molecular Weight227.46 g/mol
Exact Mass227.12
IUPAC Name2-(2,2,3,3,6-pentamethyloxadisilinan-6-yl)acetonitrile
SMILESCC1(CC#N)CC[Si](C)(C)[Si](C)(C)O1
InChIInChI=1S/C10H21NOSi2/c1-10(6-8-11)7-9-13(2,3)14(4,5)12-10/h6-7,9H2,1-5H3
InChIKeyRGDSATAKNHCURV-UHFFFAOYSA-N
XLogP3.07
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.46
LogP ≤ 53.07
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

2,2,3,3,6-pentamethyl-6-propyloxadisilinane
CID 66714819
(2,2,3,3,6-pentamethyloxadisilinan-6-yl)methyl 2-methylprop-2-enoate
CID 66887567
2,2,3,3,6,6-hexamethyloxadisilinane;silyloxysilane
CID 175404731
2-(2-methyl-1-oxaspiro[4.4]nonan-2-yl)acetonitrile
CID 130585735
2,2,3,3-tetramethyl-6,6-bis(trifluoromethyl)oxadisilinane
CID 87257440
2-(2-methyl-5-propan-2-yloxolan-2-yl)acetonitrile
CID 20574261
1-(2,2,3,3-tetramethyl-6-pyrrolidin-1-yloxadisilinan-6-yl)pyrrolidine
CID 67745467
1-(cyanomethyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 10725971
2-(5-hydroxy-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)acetonitrile
CID 15086720
2-(5-chloro-2-methyl-3H-1-benzofuran-2-yl)acetonitrile
CID 121006133
ethane;2-(4-methylpiperidin-4-yl)acetonitrile
CID 144903240
4-(2,2,3,3-tetramethyloxadisilinan-6-yl)but-2-ynenitrile
CID 175548328

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,6-pentamethyloxadisilinan-6-yl)acetonitrile?
The IUPAC name of 2-(2,2,3,3,6-pentamethyloxadisilinan-6-yl)acetonitrile (CID 70563507) is 2-(2,2,3,3,6-pentamethyloxadisilinan-6-yl)acetonitrile.
What is the SMILES notation for 2-(2,2,3,3,6-pentamethyloxadisilinan-6-yl)acetonitrile?
The canonical SMILES for 2-(2,2,3,3,6-pentamethyloxadisilinan-6-yl)acetonitrile is CC1(CC#N)CC[Si](C)(C)[Si](C)(C)O1.
What is the InChIKey of 2-(2,2,3,3,6-pentamethyloxadisilinan-6-yl)acetonitrile?
The InChIKey is RGDSATAKNHCURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOSi2/c1-10(6-8-11)7-9-13(2,3)14(4,5)12-10/h6-7,9H2,1-5H3.
What are the key properties of 2-(2,2,3,3,6-pentamethyloxadisilinan-6-yl)acetonitrile?
2-(2,2,3,3,6-pentamethyloxadisilinan-6-yl)acetonitrile has a molecular weight of 227.46 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,6-pentamethyloxadisilinan-6-yl)acetonitrile is sourced from PubChem (CID 70563507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).