[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

C48H82O13Si6 — CID 123749982

IUPAC[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
SMILESC=CC(=O)OCC(COC(=O)C(=C)C)O[SiH](C)CCCCCC[Si](C)(C)O[Si](C)(C)O[Si](O[Si](C)(C)CC[SiH](C)OC(COC(=O)C=C)COC(=O)C(=C)C)(C1C=CC=CC1)C1C=CC=CC1
InChIInChI=1S/C48H82O13Si6/c1-15-45(49)53-35-41(37-55-47(51)39(3)4)57-62(7)31-25-17-18-26-33-64(9,10)59-66(13,14)61-67(43-27-21-19-22-28-43,44-29-23-20-24-30-44)60-65(11,12)34-32-63(8)58-42(36-54-46(50)16-2)38-56-48(52)40(5)6/h15-16,19-24,27,29,41-44,62-63H,1-3,5,17-18,25-26,28,30-38H2,4,6-14H3
InChIKeyAXVWRAZLAIAKKB-UHFFFAOYSA-N
MW1035.69 g/mol
LogP10.10
Rot. Bonds34

About [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

[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 (PubChem CID 123749982) has the molecular formula C48H82O13Si6 and a molecular weight of 1035.69 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID123749982
Molecular FormulaC48H82O13Si6
Molecular Weight1035.69 g/mol
Exact Mass1034.44
IUPAC Name[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
SMILESC=CC(=O)OCC(COC(=O)C(=C)C)O[SiH](C)CCCCCC[Si](C)(C)O[Si](C)(C)O[Si](O[Si](C)(C)CC[SiH](C)OC(COC(=O)C=C)COC(=O)C(=C)C)(C1C=CC=CC1)C1C=CC=CC1
InChIInChI=1S/C48H82O13Si6/c1-15-45(49)53-35-41(37-55-47(51)39(3)4)57-62(7)31-25-17-18-26-33-64(9,10)59-66(13,14)61-67(43-27-21-19-22-28-43,44-29-23-20-24-30-44)60-65(11,12)34-32-63(8)58-42(36-54-46(50)16-2)38-56-48(52)40(5)6/h15-16,19-24,27,29,41-44,62-63H,1-3,5,17-18,25-26,28,30-38H2,4,6-14H3
InChIKeyAXVWRAZLAIAKKB-UHFFFAOYSA-N
XLogP10.10
TPSA151.35 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds34
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001035.69
LogP ≤ 510.10
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'}

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is C=CC(=O)OCC(COC(=O)C(=C)C)O[SiH](C)CCCCCC[Si](C)(C)O[Si](C)(C)O[Si](O[Si](C)(C)CC[SiH](C)OC(COC(=O)C=C)COC(=O)C(=C)C)(C1C=CC=CC1)C1C=CC=CC1.
What is the InChIKey of [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?
The InChIKey is AXVWRAZLAIAKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H82O13Si6/c1-15-45(49)53-35-41(37-55-47(51)39(3)4)57-62(7)31-25-17-18-26-33-64(9,10)59-66(13,14)61-67(43-27-21-19-22-28-43,44-29-23-20-24-30-44)60-65(11,12)34-32-63(8)58-42(36-54-46(50)16-2)38-56-48(52)40(5)6/h15-16,19-24,27,29,41-44,62-63H,1-3,5,17-18,25-26,28,30-38H2,4,6-14H3.
What are the key properties of [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?
[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 has a molecular weight of 1035.69 g/mol, XLogP of 10.10, 34 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 123749982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).