ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate

C34H43NO3Si — CID 68768815

IUPACethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate
SMILESCCOC(=O)/C=C1/CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H43NO3Si/c1-7-37-32(36)25-27-26-35(24-23-31(27)38-39(5,6)33(2,3)4)34(28-17-11-8-12-18-28,29-19-13-9-14-20-29)30-21-15-10-16-22-30/h8-22,25,31H,7,23-24,26H2,1-6H3/b27-25-
InChIKeyIYDCHCKCBXGBLK-RFBIWTDZSA-N
MW541.81 g/mol
LogP7.56
Rot. Bonds8

About ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate

ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate (PubChem CID 68768815) has the molecular formula C34H43NO3Si and a molecular weight of 541.81 g/mol. Its IUPAC name is ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate
PubChem CID68768815
Molecular FormulaC34H43NO3Si
Molecular Weight541.81 g/mol
Exact Mass541.30
IUPAC Nameethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate
SMILESCCOC(=O)/C=C1/CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H43NO3Si/c1-7-37-32(36)25-27-26-35(24-23-31(27)38-39(5,6)33(2,3)4)34(28-17-11-8-12-18-28,29-19-13-9-14-20-29)30-21-15-10-16-22-30/h8-22,25,31H,7,23-24,26H2,1-6H3/b27-25-
InChIKeyIYDCHCKCBXGBLK-RFBIWTDZSA-N
XLogP7.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.81
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate (CID 68768815) is ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate is CCOC(=O)/C=C1/CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate?
The InChIKey is IYDCHCKCBXGBLK-RFBIWTDZSA-N. The full InChI is InChI=1S/C34H43NO3Si/c1-7-37-32(36)25-27-26-35(24-23-31(27)38-39(5,6)33(2,3)4)34(28-17-11-8-12-18-28,29-19-13-9-14-20-29)30-21-15-10-16-22-30/h8-22,25,31H,7,23-24,26H2,1-6H3/b27-25-.
What are the key properties of ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate?
ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate has a molecular weight of 541.81 g/mol, XLogP of 7.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate is sourced from PubChem (CID 68768815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).