acetonitrile;[chloromethyl(dimethyl)silyl]formonitrile;chloromethyl(trimethyl)silane;methane

C11H26Cl2N2Si2 — CID 158880845

IUPACacetonitrile;[chloromethyl(dimethyl)silyl]formonitrile;chloromethyl(trimethyl)silane;methane
SMILESC.CC#N.C[Si](C)(C#N)CCl.C[Si](C)(C)CCl
InChIInChI=1S/C4H8ClNSi.C4H11ClSi.C2H3N.CH4/c1-7(2,3-5)4-6;1-6(2,3)4-5;1-2-3;/h3H2,1-2H3;4H2,1-3H3;1H3;1H4
InChIKeyJCZYFVMZIHLKEZ-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.80
Rot. Bonds2

About acetonitrile;[chloromethyl(dimethyl)silyl]formonitrile;chloromethyl(trimethyl)silane;methane

acetonitrile;[chloromethyl(dimethyl)silyl]formonitrile;chloromethyl(trimethyl)silane;methane (PubChem CID 158880845) has the molecular formula C11H26Cl2N2Si2 and a molecular weight of 313.42 g/mol. Its IUPAC name is acetonitrile;[chloromethyl(dimethyl)silyl]formonitrile;chloromethyl(trimethyl)silane;methane.

Molecular Properties

Compound Nameacetonitrile;[chloromethyl(dimethyl)silyl]formonitrile;chloromethyl(trimethyl)silane;methane
PubChem CID158880845
Molecular FormulaC11H26Cl2N2Si2
Molecular Weight313.42 g/mol
Exact Mass312.10
IUPAC Nameacetonitrile;[chloromethyl(dimethyl)silyl]formonitrile;chloromethyl(trimethyl)silane;methane
SMILESC.CC#N.C[Si](C)(C#N)CCl.C[Si](C)(C)CCl
InChIInChI=1S/C4H8ClNSi.C4H11ClSi.C2H3N.CH4/c1-7(2,3-5)4-6;1-6(2,3)4-5;1-2-3;/h3H2,1-2H3;4H2,1-3H3;1H3;1H4
InChIKeyJCZYFVMZIHLKEZ-UHFFFAOYSA-N
XLogP4.80
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;[chloromethyl(dimethyl)silyl]formonitrile;chloromethyl(trimethyl)silane;methane?
The IUPAC name of acetonitrile;[chloromethyl(dimethyl)silyl]formonitrile;chloromethyl(trimethyl)silane;methane (CID 158880845) is acetonitrile;[chloromethyl(dimethyl)silyl]formonitrile;chloromethyl(trimethyl)silane;methane.
What is the SMILES notation for acetonitrile;[chloromethyl(dimethyl)silyl]formonitrile;chloromethyl(trimethyl)silane;methane?
The canonical SMILES for acetonitrile;[chloromethyl(dimethyl)silyl]formonitrile;chloromethyl(trimethyl)silane;methane is C.CC#N.C[Si](C)(C#N)CCl.C[Si](C)(C)CCl.
What is the InChIKey of acetonitrile;[chloromethyl(dimethyl)silyl]formonitrile;chloromethyl(trimethyl)silane;methane?
The InChIKey is JCZYFVMZIHLKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNSi.C4H11ClSi.C2H3N.CH4/c1-7(2,3-5)4-6;1-6(2,3)4-5;1-2-3;/h3H2,1-2H3;4H2,1-3H3;1H3;1H4.
What are the key properties of acetonitrile;[chloromethyl(dimethyl)silyl]formonitrile;chloromethyl(trimethyl)silane;methane?
acetonitrile;[chloromethyl(dimethyl)silyl]formonitrile;chloromethyl(trimethyl)silane;methane has a molecular weight of 313.42 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;[chloromethyl(dimethyl)silyl]formonitrile;chloromethyl(trimethyl)silane;methane is sourced from PubChem (CID 158880845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).