tert-butyl 4-[2-[dimethyl(phenyl)silyl]hex-1-enylidene]piperidine-1-carboxylate

C24H37NO2Si — CID 44604030

IUPACtert-butyl 4-[2-[dimethyl(phenyl)silyl]hex-1-enylidene]piperidine-1-carboxylate
SMILESCCCCC(=C=C1CCN(C(=O)OC(C)(C)C)CC1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H37NO2Si/c1-7-8-12-22(28(5,6)21-13-10-9-11-14-21)19-20-15-17-25(18-16-20)23(26)27-24(2,3)4/h9-11,13-14H,7-8,12,15-18H2,1-6H3
InChIKeyFJFMVMUFPDWEKP-UHFFFAOYSA-N
MW399.65 g/mol
LogP5.81
Rot. Bonds5

About tert-butyl 4-[2-[dimethyl(phenyl)silyl]hex-1-enylidene]piperidine-1-carboxylate

tert-butyl 4-[2-[dimethyl(phenyl)silyl]hex-1-enylidene]piperidine-1-carboxylate (PubChem CID 44604030) has the molecular formula C24H37NO2Si and a molecular weight of 399.65 g/mol. Its IUPAC name is tert-butyl 4-[2-[dimethyl(phenyl)silyl]hex-1-enylidene]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[dimethyl(phenyl)silyl]hex-1-enylidene]piperidine-1-carboxylate
PubChem CID44604030
Molecular FormulaC24H37NO2Si
Molecular Weight399.65 g/mol
Exact Mass399.26
IUPAC Nametert-butyl 4-[2-[dimethyl(phenyl)silyl]hex-1-enylidene]piperidine-1-carboxylate
SMILESCCCCC(=C=C1CCN(C(=O)OC(C)(C)C)CC1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H37NO2Si/c1-7-8-12-22(28(5,6)21-13-10-9-11-14-21)19-20-15-17-25(18-16-20)23(26)27-24(2,3)4/h9-11,13-14H,7-8,12,15-18H2,1-6H3
InChIKeyFJFMVMUFPDWEKP-UHFFFAOYSA-N
XLogP5.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.65
LogP ≤ 55.81
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 tert-butyl 4-[2-[dimethyl(phenyl)silyl]hex-1-enylidene]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[dimethyl(phenyl)silyl]hex-1-enylidene]piperidine-1-carboxylate (CID 44604030) is tert-butyl 4-[2-[dimethyl(phenyl)silyl]hex-1-enylidene]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[dimethyl(phenyl)silyl]hex-1-enylidene]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[dimethyl(phenyl)silyl]hex-1-enylidene]piperidine-1-carboxylate is CCCCC(=C=C1CCN(C(=O)OC(C)(C)C)CC1)[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl 4-[2-[dimethyl(phenyl)silyl]hex-1-enylidene]piperidine-1-carboxylate?
The InChIKey is FJFMVMUFPDWEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO2Si/c1-7-8-12-22(28(5,6)21-13-10-9-11-14-21)19-20-15-17-25(18-16-20)23(26)27-24(2,3)4/h9-11,13-14H,7-8,12,15-18H2,1-6H3.
What are the key properties of tert-butyl 4-[2-[dimethyl(phenyl)silyl]hex-1-enylidene]piperidine-1-carboxylate?
tert-butyl 4-[2-[dimethyl(phenyl)silyl]hex-1-enylidene]piperidine-1-carboxylate has a molecular weight of 399.65 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[dimethyl(phenyl)silyl]hex-1-enylidene]piperidine-1-carboxylate is sourced from PubChem (CID 44604030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).