carbon dioxide;2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile

C12H16ClNO3Si — CID 159841475

IUPACcarbon dioxide;2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile
SMILESCC1=CC=C(C(C#N)O[Si](C)(C)CCl)C1.O=C=O
InChIInChI=1S/C11H16ClNOSi.CO2/c1-9-4-5-10(6-9)11(7-13)14-15(2,3)8-12;2-1-3/h4-5,11H,6,8H2,1-3H3;
InChIKeyNOSPPKGBDQEPOY-UHFFFAOYSA-N
MW285.80 g/mol
LogP2.57
Rot. Bonds4

About carbon dioxide;2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile

carbon dioxide;2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile (PubChem CID 159841475) has the molecular formula C12H16ClNO3Si and a molecular weight of 285.80 g/mol. Its IUPAC name is carbon dioxide;2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile.

Molecular Properties

Compound Namecarbon dioxide;2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile
PubChem CID159841475
Molecular FormulaC12H16ClNO3Si
Molecular Weight285.80 g/mol
Exact Mass285.06
IUPAC Namecarbon dioxide;2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile
SMILESCC1=CC=C(C(C#N)O[Si](C)(C)CCl)C1.O=C=O
InChIInChI=1S/C11H16ClNOSi.CO2/c1-9-4-5-10(6-9)11(7-13)14-15(2,3)8-12;2-1-3/h4-5,11H,6,8H2,1-3H3;
InChIKeyNOSPPKGBDQEPOY-UHFFFAOYSA-N
XLogP2.57
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 carbon dioxide;2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile?
The IUPAC name of carbon dioxide;2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile (CID 159841475) is carbon dioxide;2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile.
What is the SMILES notation for carbon dioxide;2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile?
The canonical SMILES for carbon dioxide;2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile is CC1=CC=C(C(C#N)O[Si](C)(C)CCl)C1.O=C=O.
What is the InChIKey of carbon dioxide;2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile?
The InChIKey is NOSPPKGBDQEPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOSi.CO2/c1-9-4-5-10(6-9)11(7-13)14-15(2,3)8-12;2-1-3/h4-5,11H,6,8H2,1-3H3;.
What are the key properties of carbon dioxide;2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile?
carbon dioxide;2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile has a molecular weight of 285.80 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile is sourced from PubChem (CID 159841475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).