ethenyl-[[4-[2-[4-[(ethenyl-methoxy-methylsilyl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]-methoxy-methylsilane

C25H36O4Si2 — CID 19905656

IUPACethenyl-[[4-[2-[4-[(ethenyl-methoxy-methylsilyl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]-methoxy-methylsilane
SMILESC=C[Si](C)(COc1ccc(C(C)(C)c2ccc(OC[Si](C)(C=C)OC)cc2)cc1)OC
InChIInChI=1S/C25H36O4Si2/c1-9-30(7,26-5)19-28-23-15-11-21(12-16-23)25(3,4)22-13-17-24(18-14-22)29-20-31(8,10-2)27-6/h9-18H,1-2,19-20H2,3-8H3
InChIKeyWRJDKYPNCUKGDV-UHFFFAOYSA-N
MW456.73 g/mol
LogP5.74
Rot. Bonds12

About ethenyl-[[4-[2-[4-[(ethenyl-methoxy-methylsilyl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]-methoxy-methylsilane

ethenyl-[[4-[2-[4-[(ethenyl-methoxy-methylsilyl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]-methoxy-methylsilane (PubChem CID 19905656) has the molecular formula C25H36O4Si2 and a molecular weight of 456.73 g/mol. Its IUPAC name is ethenyl-[[4-[2-[4-[(ethenyl-methoxy-methylsilyl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]-methoxy-methylsilane.

Molecular Properties

Compound Nameethenyl-[[4-[2-[4-[(ethenyl-methoxy-methylsilyl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]-methoxy-methylsilane
PubChem CID19905656
Molecular FormulaC25H36O4Si2
Molecular Weight456.73 g/mol
Exact Mass456.22
IUPAC Nameethenyl-[[4-[2-[4-[(ethenyl-methoxy-methylsilyl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]-methoxy-methylsilane
SMILESC=C[Si](C)(COc1ccc(C(C)(C)c2ccc(OC[Si](C)(C=C)OC)cc2)cc1)OC
InChIInChI=1S/C25H36O4Si2/c1-9-30(7,26-5)19-28-23-15-11-21(12-16-23)25(3,4)22-13-17-24(18-14-22)29-20-31(8,10-2)27-6/h9-18H,1-2,19-20H2,3-8H3
InChIKeyWRJDKYPNCUKGDV-UHFFFAOYSA-N
XLogP5.74
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.73
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl-[[4-[2-[4-[(ethenyl-methoxy-methylsilyl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]-methoxy-methylsilane?
The IUPAC name of ethenyl-[[4-[2-[4-[(ethenyl-methoxy-methylsilyl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]-methoxy-methylsilane (CID 19905656) is ethenyl-[[4-[2-[4-[(ethenyl-methoxy-methylsilyl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]-methoxy-methylsilane.
What is the SMILES notation for ethenyl-[[4-[2-[4-[(ethenyl-methoxy-methylsilyl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]-methoxy-methylsilane?
The canonical SMILES for ethenyl-[[4-[2-[4-[(ethenyl-methoxy-methylsilyl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]-methoxy-methylsilane is C=C[Si](C)(COc1ccc(C(C)(C)c2ccc(OC[Si](C)(C=C)OC)cc2)cc1)OC.
What is the InChIKey of ethenyl-[[4-[2-[4-[(ethenyl-methoxy-methylsilyl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]-methoxy-methylsilane?
The InChIKey is WRJDKYPNCUKGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O4Si2/c1-9-30(7,26-5)19-28-23-15-11-21(12-16-23)25(3,4)22-13-17-24(18-14-22)29-20-31(8,10-2)27-6/h9-18H,1-2,19-20H2,3-8H3.
What are the key properties of ethenyl-[[4-[2-[4-[(ethenyl-methoxy-methylsilyl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]-methoxy-methylsilane?
ethenyl-[[4-[2-[4-[(ethenyl-methoxy-methylsilyl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]-methoxy-methylsilane has a molecular weight of 456.73 g/mol, XLogP of 5.74, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-[[4-[2-[4-[(ethenyl-methoxy-methylsilyl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]-methoxy-methylsilane is sourced from PubChem (CID 19905656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).