3-[di(cyclohexa-2,4-dien-1-yl)-[3-(2-trimethylsilyloxyethoxy)propyl]silyl]oxysilylpropyl 2-methylprop-2-enoate

C27H46O5Si3 — CID 123549424

IUPAC3-[di(cyclohexa-2,4-dien-1-yl)-[3-(2-trimethylsilyloxyethoxy)propyl]silyl]oxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[SiH2]O[Si](CCCOCCO[Si](C)(C)C)(C1C=CC=CC1)C1C=CC=CC1
InChIInChI=1S/C27H46O5Si3/c1-24(2)27(28)30-19-12-22-33-32-35(25-14-8-6-9-15-25,26-16-10-7-11-17-26)23-13-18-29-20-21-31-34(3,4)5/h6-11,14,16,25-26H,1,12-13,15,17-23,33H2,2-5H3
InChIKeyZJFIBNLORAORBW-UHFFFAOYSA-N
MW534.92 g/mol
LogP5.99
Rot. Bonds17

About 3-[di(cyclohexa-2,4-dien-1-yl)-[3-(2-trimethylsilyloxyethoxy)propyl]silyl]oxysilylpropyl 2-methylprop-2-enoate

3-[di(cyclohexa-2,4-dien-1-yl)-[3-(2-trimethylsilyloxyethoxy)propyl]silyl]oxysilylpropyl 2-methylprop-2-enoate (PubChem CID 123549424) has the molecular formula C27H46O5Si3 and a molecular weight of 534.92 g/mol. Its IUPAC name is 3-[di(cyclohexa-2,4-dien-1-yl)-[3-(2-trimethylsilyloxyethoxy)propyl]silyl]oxysilylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[di(cyclohexa-2,4-dien-1-yl)-[3-(2-trimethylsilyloxyethoxy)propyl]silyl]oxysilylpropyl 2-methylprop-2-enoate
PubChem CID123549424
Molecular FormulaC27H46O5Si3
Molecular Weight534.92 g/mol
Exact Mass534.27
IUPAC Name3-[di(cyclohexa-2,4-dien-1-yl)-[3-(2-trimethylsilyloxyethoxy)propyl]silyl]oxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[SiH2]O[Si](CCCOCCO[Si](C)(C)C)(C1C=CC=CC1)C1C=CC=CC1
InChIInChI=1S/C27H46O5Si3/c1-24(2)27(28)30-19-12-22-33-32-35(25-14-8-6-9-15-25,26-16-10-7-11-17-26)23-13-18-29-20-21-31-34(3,4)5/h6-11,14,16,25-26H,1,12-13,15,17-23,33H2,2-5H3
InChIKeyZJFIBNLORAORBW-UHFFFAOYSA-N
XLogP5.99
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.92
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[di(cyclohexa-2,4-dien-1-yl)-[3-(2-trimethylsilyloxyethoxy)propyl]silyl]oxysilylpropyl 2-methylprop-2-enoate?
The IUPAC name of 3-[di(cyclohexa-2,4-dien-1-yl)-[3-(2-trimethylsilyloxyethoxy)propyl]silyl]oxysilylpropyl 2-methylprop-2-enoate (CID 123549424) is 3-[di(cyclohexa-2,4-dien-1-yl)-[3-(2-trimethylsilyloxyethoxy)propyl]silyl]oxysilylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[di(cyclohexa-2,4-dien-1-yl)-[3-(2-trimethylsilyloxyethoxy)propyl]silyl]oxysilylpropyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[di(cyclohexa-2,4-dien-1-yl)-[3-(2-trimethylsilyloxyethoxy)propyl]silyl]oxysilylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[SiH2]O[Si](CCCOCCO[Si](C)(C)C)(C1C=CC=CC1)C1C=CC=CC1.
What is the InChIKey of 3-[di(cyclohexa-2,4-dien-1-yl)-[3-(2-trimethylsilyloxyethoxy)propyl]silyl]oxysilylpropyl 2-methylprop-2-enoate?
The InChIKey is ZJFIBNLORAORBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46O5Si3/c1-24(2)27(28)30-19-12-22-33-32-35(25-14-8-6-9-15-25,26-16-10-7-11-17-26)23-13-18-29-20-21-31-34(3,4)5/h6-11,14,16,25-26H,1,12-13,15,17-23,33H2,2-5H3.
What are the key properties of 3-[di(cyclohexa-2,4-dien-1-yl)-[3-(2-trimethylsilyloxyethoxy)propyl]silyl]oxysilylpropyl 2-methylprop-2-enoate?
3-[di(cyclohexa-2,4-dien-1-yl)-[3-(2-trimethylsilyloxyethoxy)propyl]silyl]oxysilylpropyl 2-methylprop-2-enoate has a molecular weight of 534.92 g/mol, XLogP of 5.99, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(cyclohexa-2,4-dien-1-yl)-[3-(2-trimethylsilyloxyethoxy)propyl]silyl]oxysilylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 123549424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).