3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;N,N-dimethylpyridin-4-amine;4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate;hydroxy(triphenyl)silane

C62H77ClN2O6Si4 — CID 162028903

IUPAC3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;N,N-dimethylpyridin-4-amine;4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate;hydroxy(triphenyl)silane
SMILESC=C(C)C(=O)OCCCC[Si](C)(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.C=C(C)C(=O)OCCC[Si](C)(C)Cl.CN(C)c1ccncc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34O3Si2.C18H16OSi.C9H17ClO2Si.C7H10N2/c1-24(2)28(29)30-22-14-15-23-32(3,4)31-33(25-16-8-5-9-17-25,26-18-10-6-11-19-26)27-20-12-7-13-21-27;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)9(11)12-6-5-7-13(3,4)10;1-9(2)7-3-5-8-6-4-7/h5-13,16-21H,1,14-15,22-23H2,2-4H3;1-15,19H;1,5-7H2,2-4H3;3-6H,1-2H3
InChIKeyYVTKUHWALGVLRI-UHFFFAOYSA-N
MW1094.10 g/mol
LogP10.51
Rot. Bonds20

About 3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;N,N-dimethylpyridin-4-amine;4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate;hydroxy(triphenyl)silane

3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;N,N-dimethylpyridin-4-amine;4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate;hydroxy(triphenyl)silane (PubChem CID 162028903) has the molecular formula C62H77ClN2O6Si4 and a molecular weight of 1094.10 g/mol. Its IUPAC name is 3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;N,N-dimethylpyridin-4-amine;4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate;hydroxy(triphenyl)silane.

Molecular Properties

Compound Name3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;N,N-dimethylpyridin-4-amine;4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate;hydroxy(triphenyl)silane
PubChem CID162028903
Molecular FormulaC62H77ClN2O6Si4
Molecular Weight1094.10 g/mol
Exact Mass1092.45
IUPAC Name3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;N,N-dimethylpyridin-4-amine;4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate;hydroxy(triphenyl)silane
SMILESC=C(C)C(=O)OCCCC[Si](C)(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.C=C(C)C(=O)OCCC[Si](C)(C)Cl.CN(C)c1ccncc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34O3Si2.C18H16OSi.C9H17ClO2Si.C7H10N2/c1-24(2)28(29)30-22-14-15-23-32(3,4)31-33(25-16-8-5-9-17-25,26-18-10-6-11-19-26)27-20-12-7-13-21-27;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)9(11)12-6-5-7-13(3,4)10;1-9(2)7-3-5-8-6-4-7/h5-13,16-21H,1,14-15,22-23H2,2-4H3;1-15,19H;1,5-7H2,2-4H3;3-6H,1-2H3
InChIKeyYVTKUHWALGVLRI-UHFFFAOYSA-N
XLogP10.51
TPSA98.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001094.10
LogP ≤ 510.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;N,N-dimethylpyridin-4-amine;4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate;hydroxy(triphenyl)silane with MolForge

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Related Compounds

3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate
CID 54512859
3-[bis[[dimethyl(phenyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate
CID 66674902
3-[bis[[dimethyl(phenyl)silyl]oxy]-methoxysilyl]propyl 2-methylprop-2-enoate
CID 66675453
3-[hydroxy-methoxy-[methoxy(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate
CID 102349948
3-[[4-methoxybutyl-[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 158648892
3-[[3-methoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 59651344
3-[[2-[[[[(ethenyl-methyl-phenylsilyl)oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-methyl-phenylsilyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 140810592
3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012650
11-[methoxy(dimethyl)silyl]undecyl 2-methylprop-2-enoate
CID 142567351
10-[methoxy(dimethyl)silyl]decyl 2-methylprop-2-enoate
CID 142567352
4-[benzyl(dimethoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977884
3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 22094222

Frequently Asked Questions

What is the IUPAC name of 3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;N,N-dimethylpyridin-4-amine;4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate;hydroxy(triphenyl)silane?
The IUPAC name of 3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;N,N-dimethylpyridin-4-amine;4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate;hydroxy(triphenyl)silane (CID 162028903) is 3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;N,N-dimethylpyridin-4-amine;4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate;hydroxy(triphenyl)silane.
What is the SMILES notation for 3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;N,N-dimethylpyridin-4-amine;4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate;hydroxy(triphenyl)silane?
The canonical SMILES for 3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;N,N-dimethylpyridin-4-amine;4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate;hydroxy(triphenyl)silane is C=C(C)C(=O)OCCCC[Si](C)(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.C=C(C)C(=O)OCCC[Si](C)(C)Cl.CN(C)c1ccncc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;N,N-dimethylpyridin-4-amine;4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate;hydroxy(triphenyl)silane?
The InChIKey is YVTKUHWALGVLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O3Si2.C18H16OSi.C9H17ClO2Si.C7H10N2/c1-24(2)28(29)30-22-14-15-23-32(3,4)31-33(25-16-8-5-9-17-25,26-18-10-6-11-19-26)27-20-12-7-13-21-27;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)9(11)12-6-5-7-13(3,4)10;1-9(2)7-3-5-8-6-4-7/h5-13,16-21H,1,14-15,22-23H2,2-4H3;1-15,19H;1,5-7H2,2-4H3;3-6H,1-2H3.
What are the key properties of 3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;N,N-dimethylpyridin-4-amine;4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate;hydroxy(triphenyl)silane?
3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;N,N-dimethylpyridin-4-amine;4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate;hydroxy(triphenyl)silane has a molecular weight of 1094.10 g/mol, XLogP of 10.51, 20 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;N,N-dimethylpyridin-4-amine;4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate;hydroxy(triphenyl)silane is sourced from PubChem (CID 162028903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).