11-[4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxy]phenyl]phenyl]phenoxy]undecyl prop-2-enoate

C54H82O7Si2 — CID 20734011

IUPAC11-[4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxy]phenyl]phenyl]phenoxy]undecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCOc1ccc(-c2ccc(-c3ccc(OCCCCCCCCCCC[Si](C)(C)O[Si](C)(C)CCCCOC(=O)C=C)cc3)cc2)cc1
InChIInChI=1S/C54H82O7Si2/c1-7-53(55)59-43-25-21-17-12-9-11-15-19-23-41-57-51-37-33-49(34-38-51)47-29-31-48(32-30-47)50-35-39-52(40-36-50)58-42-24-20-16-13-10-14-18-22-27-45-62(3,4)61-63(5,6)46-28-26-44-60-54(56)8-2/h7-8,29-40H,1-2,9-28,41-46H2,3-6H3
InChIKeySTUPZPRKNYXWTM-UHFFFAOYSA-N
MW899.41 g/mol
LogP15.47
Rot. Bonds37

About 11-[4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxy]phenyl]phenyl]phenoxy]undecyl prop-2-enoate

11-[4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxy]phenyl]phenyl]phenoxy]undecyl prop-2-enoate (PubChem CID 20734011) has the molecular formula C54H82O7Si2 and a molecular weight of 899.41 g/mol. Its IUPAC name is 11-[4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxy]phenyl]phenyl]phenoxy]undecyl prop-2-enoate.

Molecular Properties

Compound Name11-[4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxy]phenyl]phenyl]phenoxy]undecyl prop-2-enoate
PubChem CID20734011
Molecular FormulaC54H82O7Si2
Molecular Weight899.41 g/mol
Exact Mass898.56
IUPAC Name11-[4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxy]phenyl]phenyl]phenoxy]undecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCOc1ccc(-c2ccc(-c3ccc(OCCCCCCCCCCC[Si](C)(C)O[Si](C)(C)CCCCOC(=O)C=C)cc3)cc2)cc1
InChIInChI=1S/C54H82O7Si2/c1-7-53(55)59-43-25-21-17-12-9-11-15-19-23-41-57-51-37-33-49(34-38-51)47-29-31-48(32-30-47)50-35-39-52(40-36-50)58-42-24-20-16-13-10-14-18-22-27-45-62(3,4)61-63(5,6)46-28-26-44-60-54(56)8-2/h7-8,29-40H,1-2,9-28,41-46H2,3-6H3
InChIKeySTUPZPRKNYXWTM-UHFFFAOYSA-N
XLogP15.47
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds37
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.41
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

Analyze 11-[4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxy]phenyl]phenyl]phenoxy]undecyl prop-2-enoate with MolForge

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Related Compounds

11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecyl 4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxycarbonyl]phenyl]phenyl]benzoate
CID 20733997
[4-(4-cyanophenyl)phenyl] 4-[5-[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy-dimethylsilyl]pentoxy]benzoate
CID 100958797
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate
CID 20588637
6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate
CID 89309257
4-[[4-[2,5-bis[[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy]benzoyl]oxybutyl-dimethylsilyl]oxy-dimethylsilyl]butyl 2,5-bis[[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy]benzoate
CID 22706749
8-[4-(4-cyanophenyl)phenoxy]octyl prop-2-enoate
CID 67732032
8-[4-(3,5-difluorophenyl)phenoxy]octyl prop-2-enoate
CID 134446776
7-[4-(4-cyanophenyl)phenoxy]heptyl prop-2-enoate
CID 67732052
3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate
CID 144554090
methyl 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate
CID 58785395
6-[4-[3-methyl-4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl]phenoxy]hexyl prop-2-enoate
CID 59459924

Frequently Asked Questions

What is the IUPAC name of 11-[4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxy]phenyl]phenyl]phenoxy]undecyl prop-2-enoate?
The IUPAC name of 11-[4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxy]phenyl]phenyl]phenoxy]undecyl prop-2-enoate (CID 20734011) is 11-[4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxy]phenyl]phenyl]phenoxy]undecyl prop-2-enoate.
What is the SMILES notation for 11-[4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxy]phenyl]phenyl]phenoxy]undecyl prop-2-enoate?
The canonical SMILES for 11-[4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxy]phenyl]phenyl]phenoxy]undecyl prop-2-enoate is C=CC(=O)OCCCCCCCCCCCOc1ccc(-c2ccc(-c3ccc(OCCCCCCCCCCC[Si](C)(C)O[Si](C)(C)CCCCOC(=O)C=C)cc3)cc2)cc1.
What is the InChIKey of 11-[4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxy]phenyl]phenyl]phenoxy]undecyl prop-2-enoate?
The InChIKey is STUPZPRKNYXWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H82O7Si2/c1-7-53(55)59-43-25-21-17-12-9-11-15-19-23-41-57-51-37-33-49(34-38-51)47-29-31-48(32-30-47)50-35-39-52(40-36-50)58-42-24-20-16-13-10-14-18-22-27-45-62(3,4)61-63(5,6)46-28-26-44-60-54(56)8-2/h7-8,29-40H,1-2,9-28,41-46H2,3-6H3.
What are the key properties of 11-[4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxy]phenyl]phenyl]phenoxy]undecyl prop-2-enoate?
11-[4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxy]phenyl]phenyl]phenoxy]undecyl prop-2-enoate has a molecular weight of 899.41 g/mol, XLogP of 15.47, 37 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxy]phenyl]phenyl]phenoxy]undecyl prop-2-enoate is sourced from PubChem (CID 20734011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).