(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopenta-1,3-dien-1-ylacetonitrile

C13H21NOSi — CID 101254719

IUPAC(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopenta-1,3-dien-1-ylacetonitrile
SMILESCC(C)(C)[Si](C)(C)O[C@@H](C#N)C1=CC=CC1
InChIInChI=1S/C13H21NOSi/c1-13(2,3)16(4,5)15-12(10-14)11-8-6-7-9-11/h6-8,12H,9H2,1-5H3/t12-/m0/s1
InChIKeyPOQBYRWFBNSDTK-LBPRGKRZSA-N
MW235.40 g/mol
LogP3.79
Rot. Bonds3

About (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopenta-1,3-dien-1-ylacetonitrile

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopenta-1,3-dien-1-ylacetonitrile (PubChem CID 101254719) has the molecular formula C13H21NOSi and a molecular weight of 235.40 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopenta-1,3-dien-1-ylacetonitrile.

Molecular Properties

Compound Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopenta-1,3-dien-1-ylacetonitrile
PubChem CID101254719
Molecular FormulaC13H21NOSi
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopenta-1,3-dien-1-ylacetonitrile
SMILESCC(C)(C)[Si](C)(C)O[C@@H](C#N)C1=CC=CC1
InChIInChI=1S/C13H21NOSi/c1-13(2,3)16(4,5)15-12(10-14)11-8-6-7-9-11/h6-8,12H,9H2,1-5H3/t12-/m0/s1
InChIKeyPOQBYRWFBNSDTK-LBPRGKRZSA-N
XLogP3.79
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.79
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 (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopenta-1,3-dien-1-ylacetonitrile?
The IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopenta-1,3-dien-1-ylacetonitrile (CID 101254719) is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopenta-1,3-dien-1-ylacetonitrile.
What is the SMILES notation for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopenta-1,3-dien-1-ylacetonitrile?
The canonical SMILES for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopenta-1,3-dien-1-ylacetonitrile is CC(C)(C)[Si](C)(C)O[C@@H](C#N)C1=CC=CC1.
What is the InChIKey of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopenta-1,3-dien-1-ylacetonitrile?
The InChIKey is POQBYRWFBNSDTK-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21NOSi/c1-13(2,3)16(4,5)15-12(10-14)11-8-6-7-9-11/h6-8,12H,9H2,1-5H3/t12-/m0/s1.
What are the key properties of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopenta-1,3-dien-1-ylacetonitrile?
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopenta-1,3-dien-1-ylacetonitrile has a molecular weight of 235.40 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopenta-1,3-dien-1-ylacetonitrile is sourced from PubChem (CID 101254719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).