diethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate

C19H34O5Si — CID 15414684

IUPACdiethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate
SMILESCCOC(=O)C(C(=O)OCC)C1C=C(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C19H34O5Si/c1-8-22-17(20)16(18(21)23-9-2)14-11-10-12-15(13-14)24-25(6,7)19(3,4)5/h13-14,16H,8-12H2,1-7H3
InChIKeyLNJPNIFVRPDKKN-UHFFFAOYSA-N
MW370.56 g/mol
LogP4.43
Rot. Bonds7

About diethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate

diethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate (PubChem CID 15414684) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is diethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate
PubChem CID15414684
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Namediethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate
SMILESCCOC(=O)C(C(=O)OCC)C1C=C(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C19H34O5Si/c1-8-22-17(20)16(18(21)23-9-2)14-11-10-12-15(13-14)24-25(6,7)19(3,4)5/h13-14,16H,8-12H2,1-7H3
InChIKeyLNJPNIFVRPDKKN-UHFFFAOYSA-N
XLogP4.43
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate
CID 24764392
methyl (1S,2S,3R)-2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-1-enyl]-6-oxo-3-propan-2-ylcyclohexane-1-carboxylate
CID 10885746
methyl (1S,2E,4S,5S)-4-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-5-formylcyclooct-2-ene-1-carboxylate
CID 11408066
methyl (1S,2E,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-formyl-4-trimethylsilylcyclooct-2-ene-1-carboxylate
CID 15535396
Diethyl 2-(2-bromo-3-methylbut-2-enyl)-2-(4-triethylsilyloxycyclohex-3-en-1-yl)propanedioate
CID 24906053
dimethyl (3R)-6-trimethylsilyloxyspiro[2.5]oct-6-ene-2,2-dicarboxylate
CID 25208498
methyl (Z)-10-[tert-butyl(dimethyl)silyl]oxy-3-oxo-6-propan-2-yldec-7-enoate
CID 134833524
Dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate
CID 134901574
Dimethyl 2-[[3-[tert-butyl(dimethyl)silyl]oxy-6-formylcyclohex-2-en-1-yl]methyl]cyclopropane-1,1-dicarboxylate
CID 135028470
Diethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-(2-methylprop-2-enyl)propanedioate
CID 176435360
diethyl (3aR,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-3a,6,7,7a-tetrahydro-2H-indene-1,1-dicarboxylate
CID 176435361
3-[(1S,6R)-6-ethoxycarbonyl-6-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl]propanoic acid
CID 10716635

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate?
The IUPAC name of diethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate (CID 15414684) is diethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate.
What is the SMILES notation for diethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate?
The canonical SMILES for diethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate is CCOC(=O)C(C(=O)OCC)C1C=C(O[Si](C)(C)C(C)(C)C)CCC1.
What is the InChIKey of diethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate?
The InChIKey is LNJPNIFVRPDKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O5Si/c1-8-22-17(20)16(18(21)23-9-2)14-11-10-12-15(13-14)24-25(6,7)19(3,4)5/h13-14,16H,8-12H2,1-7H3.
What are the key properties of diethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate?
diethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate has a molecular weight of 370.56 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate is sourced from PubChem (CID 15414684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).