cis-(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-ethenylcyclopropane-1-carbonitrile

C12H21NOSi — CID 102506641

IUPACcis-(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-ethenylcyclopropane-1-carbonitrile
SMILESC=C[C@H]1C[C@]1(C#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H21NOSi/c1-7-10-8-12(10,9-13)14-15(5,6)11(2,3)4/h7,10H,1,8H2,2-6H3/t10-,12+/m0/s1
InChIKeyATRWMVVSQRHKFP-CMPLNLGQSA-N
MW223.39 g/mol
LogP3.48
Rot. Bonds3

About cis-(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-ethenylcyclopropane-1-carbonitrile

cis-(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-ethenylcyclopropane-1-carbonitrile (PubChem CID 102506641) has the molecular formula C12H21NOSi and a molecular weight of 223.39 g/mol. Its IUPAC name is cis-(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-ethenylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-ethenylcyclopropane-1-carbonitrile
PubChem CID102506641
Molecular FormulaC12H21NOSi
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC Namecis-(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-ethenylcyclopropane-1-carbonitrile
SMILESC=C[C@H]1C[C@]1(C#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H21NOSi/c1-7-10-8-12(10,9-13)14-15(5,6)11(2,3)4/h7,10H,1,8H2,2-6H3/t10-,12+/m0/s1
InChIKeyATRWMVVSQRHKFP-CMPLNLGQSA-N
XLogP3.48
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-ethenylcyclopropane-1-carbonitrile?
The IUPAC name of cis-(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-ethenylcyclopropane-1-carbonitrile (CID 102506641) is cis-(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-ethenylcyclopropane-1-carbonitrile.
What is the SMILES notation for cis-(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-ethenylcyclopropane-1-carbonitrile?
The canonical SMILES for cis-(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-ethenylcyclopropane-1-carbonitrile is C=C[C@H]1C[C@]1(C#N)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of cis-(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-ethenylcyclopropane-1-carbonitrile?
The InChIKey is ATRWMVVSQRHKFP-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H21NOSi/c1-7-10-8-12(10,9-13)14-15(5,6)11(2,3)4/h7,10H,1,8H2,2-6H3/t10-,12+/m0/s1.
What are the key properties of cis-(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-ethenylcyclopropane-1-carbonitrile?
cis-(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-ethenylcyclopropane-1-carbonitrile has a molecular weight of 223.39 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-ethenylcyclopropane-1-carbonitrile is sourced from PubChem (CID 102506641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).