2-[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]acetonitrile

C15H27NOSi — CID 101434889

IUPAC2-[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]acetonitrile
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CC=CC[C@@H]1CC#N
InChIInChI=1S/C15H27NOSi/c1-15(2,3)18(4,5)17-12-14-9-7-6-8-13(14)10-11-16/h6-7,13-14H,8-10,12H2,1-5H3/t13-,14-/m1/s1
InChIKeyMSPMOASQHANVMB-ZIAGYGMSSA-N
MW265.47 g/mol
LogP4.50
Rot. Bonds4

About 2-[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]acetonitrile

2-[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]acetonitrile (PubChem CID 101434889) has the molecular formula C15H27NOSi and a molecular weight of 265.47 g/mol. Its IUPAC name is 2-[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]acetonitrile
PubChem CID101434889
Molecular FormulaC15H27NOSi
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name2-[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]acetonitrile
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CC=CC[C@@H]1CC#N
InChIInChI=1S/C15H27NOSi/c1-15(2,3)18(4,5)17-12-14-9-7-6-8-13(14)10-11-16/h6-7,13-14H,8-10,12H2,1-5H3/t13-,14-/m1/s1
InChIKeyMSPMOASQHANVMB-ZIAGYGMSSA-N
XLogP4.50
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.50
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 2-[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]acetonitrile?
The IUPAC name of 2-[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]acetonitrile (CID 101434889) is 2-[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]acetonitrile.
What is the SMILES notation for 2-[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]acetonitrile?
The canonical SMILES for 2-[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]acetonitrile is CC(C)(C)[Si](C)(C)OC[C@H]1CC=CC[C@@H]1CC#N.
What is the InChIKey of 2-[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]acetonitrile?
The InChIKey is MSPMOASQHANVMB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H27NOSi/c1-15(2,3)18(4,5)17-12-14-9-7-6-8-13(14)10-11-16/h6-7,13-14H,8-10,12H2,1-5H3/t13-,14-/m1/s1.
What are the key properties of 2-[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]acetonitrile?
2-[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]acetonitrile has a molecular weight of 265.47 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]acetonitrile is sourced from PubChem (CID 101434889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).