4-[4-[[4-[[4-[[3-chloro-4-[2-[dimethyl(prop-2-enoyloxymethyl)silyl]oxyethoxy]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]butyl prop-2-enoate

C39H41ClN6O7Si — CID 170542707

IUPAC4-[4-[[4-[[4-[[3-chloro-4-[2-[dimethyl(prop-2-enoyloxymethyl)silyl]oxyethoxy]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]butyl prop-2-enoate
SMILESC=CC(=O)OCCCCOc1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccc(OCCO[Si](C)(C)COC(=O)C=C)c(Cl)c4)cc3)cc2)cc1
InChIInChI=1S/C39H41ClN6O7Si/c1-5-38(47)51-24-8-7-23-49-35-20-17-33(18-21-35)44-43-31-11-9-29(10-12-31)41-42-30-13-15-32(16-14-30)45-46-34-19-22-37(36(40)27-34)50-25-26-53-54(3,4)28-52-39(48)6-2/h5-6,9-22,27H,1-2,7-8,23-26,28H2,3-4H3/b42-41+,44-43+,46-45+
InChIKeyOFHDGDIZQFMYEA-NOGTXXKZSA-N
MW769.33 g/mol
LogP11.34
Rot. Bonds21

About 4-[4-[[4-[[4-[[3-chloro-4-[2-[dimethyl(prop-2-enoyloxymethyl)silyl]oxyethoxy]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]butyl prop-2-enoate

4-[4-[[4-[[4-[[3-chloro-4-[2-[dimethyl(prop-2-enoyloxymethyl)silyl]oxyethoxy]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]butyl prop-2-enoate (PubChem CID 170542707) has the molecular formula C39H41ClN6O7Si and a molecular weight of 769.33 g/mol. Its IUPAC name is 4-[4-[[4-[[4-[[3-chloro-4-[2-[dimethyl(prop-2-enoyloxymethyl)silyl]oxyethoxy]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]butyl prop-2-enoate.

Molecular Properties

Compound Name4-[4-[[4-[[4-[[3-chloro-4-[2-[dimethyl(prop-2-enoyloxymethyl)silyl]oxyethoxy]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]butyl prop-2-enoate
PubChem CID170542707
Molecular FormulaC39H41ClN6O7Si
Molecular Weight769.33 g/mol
Exact Mass768.25
IUPAC Name4-[4-[[4-[[4-[[3-chloro-4-[2-[dimethyl(prop-2-enoyloxymethyl)silyl]oxyethoxy]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]butyl prop-2-enoate
SMILESC=CC(=O)OCCCCOc1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccc(OCCO[Si](C)(C)COC(=O)C=C)c(Cl)c4)cc3)cc2)cc1
InChIInChI=1S/C39H41ClN6O7Si/c1-5-38(47)51-24-8-7-23-49-35-20-17-33(18-21-35)44-43-31-11-9-29(10-12-31)41-42-30-13-15-32(16-14-30)45-46-34-19-22-37(36(40)27-34)50-25-26-53-54(3,4)28-52-39(48)6-2/h5-6,9-22,27H,1-2,7-8,23-26,28H2,3-4H3/b42-41+,44-43+,46-45+
InChIKeyOFHDGDIZQFMYEA-NOGTXXKZSA-N
XLogP11.34
TPSA154.45 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500769.33
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[4-[[4-[[4-[[3-chloro-4-[2-[dimethyl(prop-2-enoyloxymethyl)silyl]oxyethoxy]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]butyl prop-2-enoate with MolForge

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Related Compounds

6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexyl prop-2-enoate
CID 101498124
4-[4-[[3-(hydroxymethyl)-4-[[3-(hydroxymethyl)-4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]butyl prop-2-enoate
CID 156628743
methyl 4-[[4-(8-prop-2-enoyloxyoctoxy)phenyl]diazenyl]benzoate
CID 20615391
3-[4-[[4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenyl]diazenyl]phenoxy]propyl prop-2-enoate
CID 122548317
12-[4-[[4-[[4-[[2-hydroxy-4-(12-prop-2-enoyloxydodecoxy)phenyl]diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]phenoxy]dodecyl prop-2-enoate
CID 156628727
3-[3-methyl-4-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate
CID 67394118
6-[4-[[4-[2-[4-(10-oxododec-11-enoxy)phenyl]ethenyl]phenyl]diazenyl]phenoxy]hexyl prop-2-enoate
CID 140930643
2-[2-chloro-4-[3-chloro-4-(2-prop-2-enoyloxyethoxy)phenyl]sulfanylphenoxy]ethyl prop-2-enoate
CID 139668891
4-O-[2-chloro-4-(4-prop-2-enoyloxybutoxy)phenyl] 1-O-(4-prop-2-enoyloxyphenyl) cyclohexane-1,4-dicarboxylate
CID 23529939
4-(4-hydroxyphenoxy)butyl prop-2-enoate
CID 20566713
11-[4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxy]phenyl]phenyl]phenoxy]undecyl prop-2-enoate
CID 20734011
4-(4-prop-1-ynylphenoxy)butyl prop-2-enoate
CID 59700398

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-[[4-[[3-chloro-4-[2-[dimethyl(prop-2-enoyloxymethyl)silyl]oxyethoxy]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]butyl prop-2-enoate?
The IUPAC name of 4-[4-[[4-[[4-[[3-chloro-4-[2-[dimethyl(prop-2-enoyloxymethyl)silyl]oxyethoxy]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]butyl prop-2-enoate (CID 170542707) is 4-[4-[[4-[[4-[[3-chloro-4-[2-[dimethyl(prop-2-enoyloxymethyl)silyl]oxyethoxy]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]butyl prop-2-enoate.
What is the SMILES notation for 4-[4-[[4-[[4-[[3-chloro-4-[2-[dimethyl(prop-2-enoyloxymethyl)silyl]oxyethoxy]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]butyl prop-2-enoate?
The canonical SMILES for 4-[4-[[4-[[4-[[3-chloro-4-[2-[dimethyl(prop-2-enoyloxymethyl)silyl]oxyethoxy]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]butyl prop-2-enoate is C=CC(=O)OCCCCOc1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccc(OCCO[Si](C)(C)COC(=O)C=C)c(Cl)c4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[[4-[[4-[[3-chloro-4-[2-[dimethyl(prop-2-enoyloxymethyl)silyl]oxyethoxy]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]butyl prop-2-enoate?
The InChIKey is OFHDGDIZQFMYEA-NOGTXXKZSA-N. The full InChI is InChI=1S/C39H41ClN6O7Si/c1-5-38(47)51-24-8-7-23-49-35-20-17-33(18-21-35)44-43-31-11-9-29(10-12-31)41-42-30-13-15-32(16-14-30)45-46-34-19-22-37(36(40)27-34)50-25-26-53-54(3,4)28-52-39(48)6-2/h5-6,9-22,27H,1-2,7-8,23-26,28H2,3-4H3/b42-41+,44-43+,46-45+.
What are the key properties of 4-[4-[[4-[[4-[[3-chloro-4-[2-[dimethyl(prop-2-enoyloxymethyl)silyl]oxyethoxy]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]butyl prop-2-enoate?
4-[4-[[4-[[4-[[3-chloro-4-[2-[dimethyl(prop-2-enoyloxymethyl)silyl]oxyethoxy]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]butyl prop-2-enoate has a molecular weight of 769.33 g/mol, XLogP of 11.34, 21 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-[[4-[[3-chloro-4-[2-[dimethyl(prop-2-enoyloxymethyl)silyl]oxyethoxy]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]butyl prop-2-enoate is sourced from PubChem (CID 170542707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).