ethyl (3E)-3-[[tert-butyl(diphenyl)silyl]hydrazinylidene]butanoate

C22H30N2O2Si — CID 177458257

IUPACethyl (3E)-3-[[tert-butyl(diphenyl)silyl]hydrazinylidene]butanoate
SMILESCCOC(=O)C/C(C)=N/N[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30N2O2Si/c1-6-26-21(25)17-18(2)23-24-27(22(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,24H,6,17H2,1-5H3/b23-18+
InChIKeyYQSGMCZZQOJUMP-PTGBLXJZSA-N
MW382.58 g/mol
LogP3.47
Rot. Bonds7

About ethyl (3E)-3-[[tert-butyl(diphenyl)silyl]hydrazinylidene]butanoate

ethyl (3E)-3-[[tert-butyl(diphenyl)silyl]hydrazinylidene]butanoate (PubChem CID 177458257) has the molecular formula C22H30N2O2Si and a molecular weight of 382.58 g/mol. Its IUPAC name is ethyl (3E)-3-[[tert-butyl(diphenyl)silyl]hydrazinylidene]butanoate.

Molecular Properties

Compound Nameethyl (3E)-3-[[tert-butyl(diphenyl)silyl]hydrazinylidene]butanoate
PubChem CID177458257
Molecular FormulaC22H30N2O2Si
Molecular Weight382.58 g/mol
Exact Mass382.21
IUPAC Nameethyl (3E)-3-[[tert-butyl(diphenyl)silyl]hydrazinylidene]butanoate
SMILESCCOC(=O)C/C(C)=N/N[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30N2O2Si/c1-6-26-21(25)17-18(2)23-24-27(22(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,24H,6,17H2,1-5H3/b23-18+
InChIKeyYQSGMCZZQOJUMP-PTGBLXJZSA-N
XLogP3.47
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.58
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[(2,2-diphenylacetyl)hydrazinylidene]butanoate
CID 5235371
ethyl (3Z)-3-[(4-anilino-4-oxobutanoyl)hydrazinylidene]butanoate
CID 6151884
ethyl 3-[dimethyl(phenyl)silyl]but-3-enoate
CID 134967582
ethyl (3Z)-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]hydrazinylidene]butanoate
CID 40524833
ethyl (3E)-3-[[4-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate
CID 5368572
ethyl (3Z)-3-[[4-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate
CID 6273765
CID 6332799
CID 6332799
ethyl 3-(1,3-benzothiazol-2-ylhydrazinylidene)butanoate
CID 71353880
ethyl 3-[(2-methyl-2-phenylpropyl)amino]-3-oxopropanoate
CID 115138677
ethyl 3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanoate
CID 3402197
ethyl (Z)-3-[dimethyl(phenyl)silyl]oxy-4-methylhex-3-enoate
CID 146166070
benzene;ethyl 3-oxobutanoate
CID 142838221

Frequently Asked Questions

What is the IUPAC name of ethyl (3E)-3-[[tert-butyl(diphenyl)silyl]hydrazinylidene]butanoate?
The IUPAC name of ethyl (3E)-3-[[tert-butyl(diphenyl)silyl]hydrazinylidene]butanoate (CID 177458257) is ethyl (3E)-3-[[tert-butyl(diphenyl)silyl]hydrazinylidene]butanoate.
What is the SMILES notation for ethyl (3E)-3-[[tert-butyl(diphenyl)silyl]hydrazinylidene]butanoate?
The canonical SMILES for ethyl (3E)-3-[[tert-butyl(diphenyl)silyl]hydrazinylidene]butanoate is CCOC(=O)C/C(C)=N/N[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of ethyl (3E)-3-[[tert-butyl(diphenyl)silyl]hydrazinylidene]butanoate?
The InChIKey is YQSGMCZZQOJUMP-PTGBLXJZSA-N. The full InChI is InChI=1S/C22H30N2O2Si/c1-6-26-21(25)17-18(2)23-24-27(22(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,24H,6,17H2,1-5H3/b23-18+.
What are the key properties of ethyl (3E)-3-[[tert-butyl(diphenyl)silyl]hydrazinylidene]butanoate?
ethyl (3E)-3-[[tert-butyl(diphenyl)silyl]hydrazinylidene]butanoate has a molecular weight of 382.58 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3E)-3-[[tert-butyl(diphenyl)silyl]hydrazinylidene]butanoate is sourced from PubChem (CID 177458257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).