methyl 3-[2-[[4-[di(cyclohexa-2,4-dien-1-yl)-[dimethyl-[2-[methyl-[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxysilyl]ethyl]silyl]oxysilyl]oxybutyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-methylsilyl]oxy-2-methylidene-4-(2-methylprop-2-enoyloxy)butanoate

C48H82O13Si6 — CID 123334977

IUPACmethyl 3-[2-[[4-[di(cyclohexa-2,4-dien-1-yl)-[dimethyl-[2-[methyl-[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxysilyl]ethyl]silyl]oxysilyl]oxybutyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-methylsilyl]oxy-2-methylidene-4-(2-methylprop-2-enoyloxy)butanoate
SMILESC=CC(=O)OCC(COC(=O)C(=C)C)O[SiH](C)CC[Si](C)(C)O[Si](OCCCC[Si](C)(C)O[Si](C)(C)CC[SiH](C)OC(COC(=O)C(=C)C)C(=C)C(=O)OC)(C1C=CC=CC1)C1C=CC=CC1
InChIInChI=1S/C48H82O13Si6/c1-16-45(49)54-35-41(36-55-46(50)38(2)3)58-62(8)30-34-66(14,15)61-67(42-25-19-17-20-26-42,43-27-21-18-22-28-43)57-29-23-24-32-64(10,11)60-65(12,13)33-31-63(9)59-44(40(6)48(52)53-7)37-56-47(51)39(4)5/h16-22,25,27,41-44,62-63H,1-2,4,6,23-24,26,28-37H2,3,5,7-15H3
InChIKeyOYQQTKXCAJSGNH-UHFFFAOYSA-N
MW1035.69 g/mol
LogP9.82
Rot. Bonds33

About methyl 3-[2-[[4-[di(cyclohexa-2,4-dien-1-yl)-[dimethyl-[2-[methyl-[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxysilyl]ethyl]silyl]oxysilyl]oxybutyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-methylsilyl]oxy-2-methylidene-4-(2-methylprop-2-enoyloxy)butanoate

methyl 3-[2-[[4-[di(cyclohexa-2,4-dien-1-yl)-[dimethyl-[2-[methyl-[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxysilyl]ethyl]silyl]oxysilyl]oxybutyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-methylsilyl]oxy-2-methylidene-4-(2-methylprop-2-enoyloxy)butanoate (PubChem CID 123334977) has the molecular formula C48H82O13Si6 and a molecular weight of 1035.69 g/mol. Its IUPAC name is methyl 3-[2-[[4-[di(cyclohexa-2,4-dien-1-yl)-[dimethyl-[2-[methyl-[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxysilyl]ethyl]silyl]oxysilyl]oxybutyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-methylsilyl]oxy-2-methylidene-4-(2-methylprop-2-enoyloxy)butanoate.

Molecular Properties

Compound Namemethyl 3-[2-[[4-[di(cyclohexa-2,4-dien-1-yl)-[dimethyl-[2-[methyl-[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxysilyl]ethyl]silyl]oxysilyl]oxybutyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-methylsilyl]oxy-2-methylidene-4-(2-methylprop-2-enoyloxy)butanoate
PubChem CID123334977
Molecular FormulaC48H82O13Si6
Molecular Weight1035.69 g/mol
Exact Mass1034.44
IUPAC Namemethyl 3-[2-[[4-[di(cyclohexa-2,4-dien-1-yl)-[dimethyl-[2-[methyl-[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxysilyl]ethyl]silyl]oxysilyl]oxybutyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-methylsilyl]oxy-2-methylidene-4-(2-methylprop-2-enoyloxy)butanoate
SMILESC=CC(=O)OCC(COC(=O)C(=C)C)O[SiH](C)CC[Si](C)(C)O[Si](OCCCC[Si](C)(C)O[Si](C)(C)CC[SiH](C)OC(COC(=O)C(=C)C)C(=C)C(=O)OC)(C1C=CC=CC1)C1C=CC=CC1
InChIInChI=1S/C48H82O13Si6/c1-16-45(49)54-35-41(36-55-46(50)38(2)3)58-62(8)30-34-66(14,15)61-67(42-25-19-17-20-26-42,43-27-21-18-22-28-43)57-29-23-24-32-64(10,11)60-65(12,13)33-31-63(9)59-44(40(6)48(52)53-7)37-56-47(51)39(4)5/h16-22,25,27,41-44,62-63H,1-2,4,6,23-24,26,28-37H2,3,5,7-15H3
InChIKeyOYQQTKXCAJSGNH-UHFFFAOYSA-N
XLogP9.82
TPSA151.35 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds33
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001035.69
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze methyl 3-[2-[[4-[di(cyclohexa-2,4-dien-1-yl)-[dimethyl-[2-[methyl-[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxysilyl]ethyl]silyl]oxysilyl]oxybutyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-methylsilyl]oxy-2-methylidene-4-(2-methylprop-2-enoyloxy)butanoate with MolForge

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Related Compounds

methyl (5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexa-1,3-diene-1-carboxylate
CID 11269542
[2-[6-[[[Di(cyclohexa-2,4-dien-1-yl)-[dimethyl-[2-[methyl-[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxysilyl]ethyl]silyl]oxysilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl-methylsilyl]oxy-3-prop-2-enoyloxypropyl] 2-methylprop-2-enoate
CID 123749982
methyl (5S,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexa-1,3-diene-1-carboxylate
CID 10834726

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[[4-[di(cyclohexa-2,4-dien-1-yl)-[dimethyl-[2-[methyl-[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxysilyl]ethyl]silyl]oxysilyl]oxybutyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-methylsilyl]oxy-2-methylidene-4-(2-methylprop-2-enoyloxy)butanoate?
The IUPAC name of methyl 3-[2-[[4-[di(cyclohexa-2,4-dien-1-yl)-[dimethyl-[2-[methyl-[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxysilyl]ethyl]silyl]oxysilyl]oxybutyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-methylsilyl]oxy-2-methylidene-4-(2-methylprop-2-enoyloxy)butanoate (CID 123334977) is methyl 3-[2-[[4-[di(cyclohexa-2,4-dien-1-yl)-[dimethyl-[2-[methyl-[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxysilyl]ethyl]silyl]oxysilyl]oxybutyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-methylsilyl]oxy-2-methylidene-4-(2-methylprop-2-enoyloxy)butanoate.
What is the SMILES notation for methyl 3-[2-[[4-[di(cyclohexa-2,4-dien-1-yl)-[dimethyl-[2-[methyl-[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxysilyl]ethyl]silyl]oxysilyl]oxybutyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-methylsilyl]oxy-2-methylidene-4-(2-methylprop-2-enoyloxy)butanoate?
The canonical SMILES for methyl 3-[2-[[4-[di(cyclohexa-2,4-dien-1-yl)-[dimethyl-[2-[methyl-[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxysilyl]ethyl]silyl]oxysilyl]oxybutyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-methylsilyl]oxy-2-methylidene-4-(2-methylprop-2-enoyloxy)butanoate is C=CC(=O)OCC(COC(=O)C(=C)C)O[SiH](C)CC[Si](C)(C)O[Si](OCCCC[Si](C)(C)O[Si](C)(C)CC[SiH](C)OC(COC(=O)C(=C)C)C(=C)C(=O)OC)(C1C=CC=CC1)C1C=CC=CC1.
What is the InChIKey of methyl 3-[2-[[4-[di(cyclohexa-2,4-dien-1-yl)-[dimethyl-[2-[methyl-[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxysilyl]ethyl]silyl]oxysilyl]oxybutyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-methylsilyl]oxy-2-methylidene-4-(2-methylprop-2-enoyloxy)butanoate?
The InChIKey is OYQQTKXCAJSGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H82O13Si6/c1-16-45(49)54-35-41(36-55-46(50)38(2)3)58-62(8)30-34-66(14,15)61-67(42-25-19-17-20-26-42,43-27-21-18-22-28-43)57-29-23-24-32-64(10,11)60-65(12,13)33-31-63(9)59-44(40(6)48(52)53-7)37-56-47(51)39(4)5/h16-22,25,27,41-44,62-63H,1-2,4,6,23-24,26,28-37H2,3,5,7-15H3.
What are the key properties of methyl 3-[2-[[4-[di(cyclohexa-2,4-dien-1-yl)-[dimethyl-[2-[methyl-[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxysilyl]ethyl]silyl]oxysilyl]oxybutyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-methylsilyl]oxy-2-methylidene-4-(2-methylprop-2-enoyloxy)butanoate?
methyl 3-[2-[[4-[di(cyclohexa-2,4-dien-1-yl)-[dimethyl-[2-[methyl-[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxysilyl]ethyl]silyl]oxysilyl]oxybutyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-methylsilyl]oxy-2-methylidene-4-(2-methylprop-2-enoyloxy)butanoate has a molecular weight of 1035.69 g/mol, XLogP of 9.82, 33 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[[4-[di(cyclohexa-2,4-dien-1-yl)-[dimethyl-[2-[methyl-[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxysilyl]ethyl]silyl]oxysilyl]oxybutyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-methylsilyl]oxy-2-methylidene-4-(2-methylprop-2-enoyloxy)butanoate is sourced from PubChem (CID 123334977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).