tert-butyl-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-dimethylsilane;4-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate;3-[tert-butyl(dimethyl)silyl]oxypropane-1,2-diol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;4-O-[3-hydroxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate

C59H106O27Si3 — CID 159218956

IUPACtert-butyl-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-dimethylsilane;4-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate;3-[tert-butyl(dimethyl)silyl]oxypropane-1,2-diol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;4-O-[3-hydroxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate
SMILESCC(C)(C)[Si](C)(C)OCC(O)CO.CC1(C)OCC(CO)O1.CC1(C)OCC(CO[Si](C)(C)C(C)(C)C)O1.COC(=O)/C=C/C(=O)OCC(CO)OC(=O)/C=C/C(=O)OC.COC(=O)/C=C/C(=O)OCC(CO[Si](C)(C)C(C)(C)C)OC(=O)/C=C/C(=O)OC
InChIInChI=1S/C19H30O9Si.C13H16O9.C12H26O3Si.C9H22O3Si.C6H12O3/c1-19(2,3)29(6,7)27-13-14(28-18(23)11-9-16(21)25-5)12-26-17(22)10-8-15(20)24-4;1-19-10(15)3-5-12(17)21-8-9(7-14)22-13(18)6-4-11(16)20-2;1-11(2,3)16(6,7)14-9-10-8-13-12(4,5)15-10;1-9(2,3)13(4,5)12-7-8(11)6-10;1-6(2)8-4-5(3-7)9-6/h8-11,14H,12-13H2,1-7H3;3-6,9,14H,7-8H2,1-2H3;10H,8-9H2,1-7H3;8,10-11H,6-7H2,1-5H3;5,7H,3-4H2,1-2H3/b10-8+,11-9+;5-3+,6-4+;;;
InChIKeyKRLAGQPGANHADY-OGTDSKSMSA-N
MW1331.73 g/mol
LogP5.47
Rot. Bonds26

About tert-butyl-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-dimethylsilane;4-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate;3-[tert-butyl(dimethyl)silyl]oxypropane-1,2-diol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;4-O-[3-hydroxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate

tert-butyl-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-dimethylsilane;4-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate;3-[tert-butyl(dimethyl)silyl]oxypropane-1,2-diol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;4-O-[3-hydroxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate (PubChem CID 159218956) has the molecular formula C59H106O27Si3 and a molecular weight of 1331.73 g/mol. Its IUPAC name is tert-butyl-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-dimethylsilane;4-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate;3-[tert-butyl(dimethyl)silyl]oxypropane-1,2-diol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;4-O-[3-hydroxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate.

Molecular Properties

Compound Nametert-butyl-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-dimethylsilane;4-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate;3-[tert-butyl(dimethyl)silyl]oxypropane-1,2-diol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;4-O-[3-hydroxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate
PubChem CID159218956
Molecular FormulaC59H106O27Si3
Molecular Weight1331.73 g/mol
Exact Mass1330.62
IUPAC Nametert-butyl-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-dimethylsilane;4-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate;3-[tert-butyl(dimethyl)silyl]oxypropane-1,2-diol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;4-O-[3-hydroxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate
SMILESCC(C)(C)[Si](C)(C)OCC(O)CO.CC1(C)OCC(CO)O1.CC1(C)OCC(CO[Si](C)(C)C(C)(C)C)O1.COC(=O)/C=C/C(=O)OCC(CO)OC(=O)/C=C/C(=O)OC.COC(=O)/C=C/C(=O)OCC(CO[Si](C)(C)C(C)(C)C)OC(=O)/C=C/C(=O)OC
InChIInChI=1S/C19H30O9Si.C13H16O9.C12H26O3Si.C9H22O3Si.C6H12O3/c1-19(2,3)29(6,7)27-13-14(28-18(23)11-9-16(21)25-5)12-26-17(22)10-8-15(20)24-4;1-19-10(15)3-5-12(17)21-8-9(7-14)22-13(18)6-4-11(16)20-2;1-11(2,3)16(6,7)14-9-10-8-13-12(4,5)15-10;1-9(2,3)13(4,5)12-7-8(11)6-10;1-6(2)8-4-5(3-7)9-6/h8-11,14H,12-13H2,1-7H3;3-6,9,14H,7-8H2,1-2H3;10H,8-9H2,1-7H3;8,10-11H,6-7H2,1-5H3;5,7H,3-4H2,1-2H3/b10-8+,11-9+;5-3+,6-4+;;;
InChIKeyKRLAGQPGANHADY-OGTDSKSMSA-N
XLogP5.47
TPSA355.93 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001331.73
LogP ≤ 55.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze tert-butyl-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-dimethylsilane;4-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate;3-[tert-butyl(dimethyl)silyl]oxypropane-1,2-diol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;4-O-[3-hydroxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-dimethylsilane;4-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate;3-[tert-butyl(dimethyl)silyl]oxypropane-1,2-diol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;4-O-[3-hydroxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate?
The IUPAC name of tert-butyl-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-dimethylsilane;4-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate;3-[tert-butyl(dimethyl)silyl]oxypropane-1,2-diol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;4-O-[3-hydroxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate (CID 159218956) is tert-butyl-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-dimethylsilane;4-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate;3-[tert-butyl(dimethyl)silyl]oxypropane-1,2-diol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;4-O-[3-hydroxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate.
What is the SMILES notation for tert-butyl-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-dimethylsilane;4-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate;3-[tert-butyl(dimethyl)silyl]oxypropane-1,2-diol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;4-O-[3-hydroxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate?
The canonical SMILES for tert-butyl-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-dimethylsilane;4-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate;3-[tert-butyl(dimethyl)silyl]oxypropane-1,2-diol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;4-O-[3-hydroxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate is CC(C)(C)[Si](C)(C)OCC(O)CO.CC1(C)OCC(CO)O1.CC1(C)OCC(CO[Si](C)(C)C(C)(C)C)O1.COC(=O)/C=C/C(=O)OCC(CO)OC(=O)/C=C/C(=O)OC.COC(=O)/C=C/C(=O)OCC(CO[Si](C)(C)C(C)(C)C)OC(=O)/C=C/C(=O)OC.
What is the InChIKey of tert-butyl-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-dimethylsilane;4-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate;3-[tert-butyl(dimethyl)silyl]oxypropane-1,2-diol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;4-O-[3-hydroxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate?
The InChIKey is KRLAGQPGANHADY-OGTDSKSMSA-N. The full InChI is InChI=1S/C19H30O9Si.C13H16O9.C12H26O3Si.C9H22O3Si.C6H12O3/c1-19(2,3)29(6,7)27-13-14(28-18(23)11-9-16(21)25-5)12-26-17(22)10-8-15(20)24-4;1-19-10(15)3-5-12(17)21-8-9(7-14)22-13(18)6-4-11(16)20-2;1-11(2,3)16(6,7)14-9-10-8-13-12(4,5)15-10;1-9(2,3)13(4,5)12-7-8(11)6-10;1-6(2)8-4-5(3-7)9-6/h8-11,14H,12-13H2,1-7H3;3-6,9,14H,7-8H2,1-2H3;10H,8-9H2,1-7H3;8,10-11H,6-7H2,1-5H3;5,7H,3-4H2,1-2H3/b10-8+,11-9+;5-3+,6-4+;;;.
What are the key properties of tert-butyl-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-dimethylsilane;4-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate;3-[tert-butyl(dimethyl)silyl]oxypropane-1,2-diol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;4-O-[3-hydroxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate?
tert-butyl-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-dimethylsilane;4-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate;3-[tert-butyl(dimethyl)silyl]oxypropane-1,2-diol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;4-O-[3-hydroxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate has a molecular weight of 1331.73 g/mol, XLogP of 5.47, 26 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-dimethylsilane;4-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate;3-[tert-butyl(dimethyl)silyl]oxypropane-1,2-diol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;4-O-[3-hydroxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate is sourced from PubChem (CID 159218956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).