ethyl 4-[[tert-butyl(dimethyl)silyl]oxy-cyclopropylmethylidene]-3,5-dioxocyclohexane-1-carboxylate

C19H30O5Si — CID 91741927

IUPACethyl 4-[[tert-butyl(dimethyl)silyl]oxy-cyclopropylmethylidene]-3,5-dioxocyclohexane-1-carboxylate
SMILESCCOC(=O)C1CC(=O)C(=C(O[Si](C)(C)C(C)(C)C)C2CC2)C(=O)C1
InChIInChI=1S/C19H30O5Si/c1-7-23-18(22)13-10-14(20)16(15(21)11-13)17(12-8-9-12)24-25(5,6)19(2,3)4/h12-13H,7-11H2,1-6H3/b17-16-
InChIKeyNFGSVZDMMZKICN-MSUUIHNZSA-N
MW366.53 g/mol
LogP3.78
Rot. Bonds5

About ethyl 4-[[tert-butyl(dimethyl)silyl]oxy-cyclopropylmethylidene]-3,5-dioxocyclohexane-1-carboxylate

ethyl 4-[[tert-butyl(dimethyl)silyl]oxy-cyclopropylmethylidene]-3,5-dioxocyclohexane-1-carboxylate (PubChem CID 91741927) has the molecular formula C19H30O5Si and a molecular weight of 366.53 g/mol. Its IUPAC name is ethyl 4-[[tert-butyl(dimethyl)silyl]oxy-cyclopropylmethylidene]-3,5-dioxocyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[tert-butyl(dimethyl)silyl]oxy-cyclopropylmethylidene]-3,5-dioxocyclohexane-1-carboxylate
PubChem CID91741927
Molecular FormulaC19H30O5Si
Molecular Weight366.53 g/mol
Exact Mass366.19
IUPAC Nameethyl 4-[[tert-butyl(dimethyl)silyl]oxy-cyclopropylmethylidene]-3,5-dioxocyclohexane-1-carboxylate
SMILESCCOC(=O)C1CC(=O)C(=C(O[Si](C)(C)C(C)(C)C)C2CC2)C(=O)C1
InChIInChI=1S/C19H30O5Si/c1-7-23-18(22)13-10-14(20)16(15(21)11-13)17(12-8-9-12)24-25(5,6)19(2,3)4/h12-13H,7-11H2,1-6H3/b17-16-
InChIKeyNFGSVZDMMZKICN-MSUUIHNZSA-N
XLogP3.78
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 141450623
ethane;ethyl 4-(1-hydroxybutylidene)-3,5-dioxocyclohexane-1-carboxylate
CID 143769364
ethyl 4-tert-butylsulfinylcyclohexane-1-carboxylate
CID 172760968
ethyl 4-(2,2-dimethylpropanoyl)-3,5-dioxocyclohexane-1-carboxylate
CID 21276347
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
ethyl 4-[(4-ethylphenyl)-hydroxymethylidene]-3,5-dioxocyclohexane-1-carboxylate
CID 15615704
3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxamide;ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxylate
CID 158231252
lithium;ethyl 3,4-dimethylcyclopent-3-ene-1-carboxylate;chloride
CID 139342927
ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 126501888
ethyl 4-chlorocyclohexane-1-carboxylate
CID 44558677
ethyl (3Z)-3-(dimethylaminomethylidene)-4-oxocyclopentane-1-carboxylate
CID 167468027

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[tert-butyl(dimethyl)silyl]oxy-cyclopropylmethylidene]-3,5-dioxocyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[[tert-butyl(dimethyl)silyl]oxy-cyclopropylmethylidene]-3,5-dioxocyclohexane-1-carboxylate (CID 91741927) is ethyl 4-[[tert-butyl(dimethyl)silyl]oxy-cyclopropylmethylidene]-3,5-dioxocyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[[tert-butyl(dimethyl)silyl]oxy-cyclopropylmethylidene]-3,5-dioxocyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[[tert-butyl(dimethyl)silyl]oxy-cyclopropylmethylidene]-3,5-dioxocyclohexane-1-carboxylate is CCOC(=O)C1CC(=O)C(=C(O[Si](C)(C)C(C)(C)C)C2CC2)C(=O)C1.
What is the InChIKey of ethyl 4-[[tert-butyl(dimethyl)silyl]oxy-cyclopropylmethylidene]-3,5-dioxocyclohexane-1-carboxylate?
The InChIKey is NFGSVZDMMZKICN-MSUUIHNZSA-N. The full InChI is InChI=1S/C19H30O5Si/c1-7-23-18(22)13-10-14(20)16(15(21)11-13)17(12-8-9-12)24-25(5,6)19(2,3)4/h12-13H,7-11H2,1-6H3/b17-16-.
What are the key properties of ethyl 4-[[tert-butyl(dimethyl)silyl]oxy-cyclopropylmethylidene]-3,5-dioxocyclohexane-1-carboxylate?
ethyl 4-[[tert-butyl(dimethyl)silyl]oxy-cyclopropylmethylidene]-3,5-dioxocyclohexane-1-carboxylate has a molecular weight of 366.53 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[tert-butyl(dimethyl)silyl]oxy-cyclopropylmethylidene]-3,5-dioxocyclohexane-1-carboxylate is sourced from PubChem (CID 91741927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).