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

C11H16ClNOSi — CID 159841476

IUPAC2-[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
InChIInChI=1S/C11H16ClNOSi/c1-9-4-5-10(6-9)11(7-13)14-15(2,3)8-12/h4-5,11H,6,8H2,1-3H3
InChIKeyDSPIKDJRYGGUGZ-UHFFFAOYSA-N
MW241.79 g/mol
LogP3.15
Rot. Bonds4

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

2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile (PubChem CID 159841476) has the molecular formula C11H16ClNOSi and a molecular weight of 241.79 g/mol. Its IUPAC name is 2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile.

Molecular Properties

Compound Name2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile
PubChem CID159841476
Molecular FormulaC11H16ClNOSi
Molecular Weight241.79 g/mol
Exact Mass241.07
IUPAC Name2-[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
InChIInChI=1S/C11H16ClNOSi/c1-9-4-5-10(6-9)11(7-13)14-15(2,3)8-12/h4-5,11H,6,8H2,1-3H3
InChIKeyDSPIKDJRYGGUGZ-UHFFFAOYSA-N
XLogP3.15
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.79
LogP ≤ 53.15
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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Related Compounds

2-Cyclohexa-1,3-dien-1-yl-2-trimethylsilyloxyacetonitrile
CID 90377926
2-[Chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)propanenitrile
CID 157176273
Carbon dioxide;2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile
CID 159841475
(5E,9E)-11-chloro-5,9-dimethyl-2-trimethylsilyloxyundeca-5,9-dienenitrile
CID 10567208
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopenta-1,3-dien-1-ylacetonitrile
CID 101254719
5-[Tert-butyl(dimethyl)silyl]oxycyclopentene-1-carbonitrile
CID 102012980

Frequently Asked Questions

What is the IUPAC name of 2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile?
The IUPAC name of 2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile (CID 159841476) is 2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile.
What is the SMILES notation for 2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile?
The canonical SMILES for 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.
What is the InChIKey of 2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile?
The InChIKey is DSPIKDJRYGGUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOSi/c1-9-4-5-10(6-9)11(7-13)14-15(2,3)8-12/h4-5,11H,6,8H2,1-3H3.
What are the key properties of 2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile?
2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile has a molecular weight of 241.79 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)acetonitrile is sourced from PubChem (CID 159841476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).