tri(propan-2-yl)-[3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenoxy]silane

C41H72O3Si3 — CID 153432761

IUPACtri(propan-2-yl)-[3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenoxy]silane
SMILESCC(C)[Si](Oc1ccc(/C=C/c2cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(O[Si](C(C)C)(C(C)C)C(C)C)c2)cc1)(C(C)C)C(C)C
InChIInChI=1S/C41H72O3Si3/c1-28(2)45(29(3)4,30(5)6)42-39-23-21-37(22-24-39)19-20-38-25-40(43-46(31(7)8,32(9)10)33(11)12)27-41(26-38)44-47(34(13)14,35(15)16)36(17)18/h19-36H,1-18H3/b20-19+
InChIKeyKWLVKESLDZOBIP-FMQUCBEESA-N
MW697.28 g/mol
LogP14.52
Rot. Bonds17

About tri(propan-2-yl)-[3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenoxy]silane

tri(propan-2-yl)-[3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenoxy]silane (PubChem CID 153432761) has the molecular formula C41H72O3Si3 and a molecular weight of 697.28 g/mol. Its IUPAC name is tri(propan-2-yl)-[3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenoxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenoxy]silane
PubChem CID153432761
Molecular FormulaC41H72O3Si3
Molecular Weight697.28 g/mol
Exact Mass696.48
IUPAC Nametri(propan-2-yl)-[3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenoxy]silane
SMILESCC(C)[Si](Oc1ccc(/C=C/c2cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(O[Si](C(C)C)(C(C)C)C(C)C)c2)cc1)(C(C)C)C(C)C
InChIInChI=1S/C41H72O3Si3/c1-28(2)45(29(3)4,30(5)6)42-39-23-21-37(22-24-39)19-20-38-25-40(43-46(31(7)8,32(9)10)33(11)12)27-41(26-38)44-47(34(13)14,35(15)16)36(17)18/h19-36H,1-18H3/b20-19+
InChIKeyKWLVKESLDZOBIP-FMQUCBEESA-N
XLogP14.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.28
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenoxy]silane?
The IUPAC name of tri(propan-2-yl)-[3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenoxy]silane (CID 153432761) is tri(propan-2-yl)-[3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenoxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenoxy]silane?
The canonical SMILES for tri(propan-2-yl)-[3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenoxy]silane is CC(C)[Si](Oc1ccc(/C=C/c2cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(O[Si](C(C)C)(C(C)C)C(C)C)c2)cc1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenoxy]silane?
The InChIKey is KWLVKESLDZOBIP-FMQUCBEESA-N. The full InChI is InChI=1S/C41H72O3Si3/c1-28(2)45(29(3)4,30(5)6)42-39-23-21-37(22-24-39)19-20-38-25-40(43-46(31(7)8,32(9)10)33(11)12)27-41(26-38)44-47(34(13)14,35(15)16)36(17)18/h19-36H,1-18H3/b20-19+.
What are the key properties of tri(propan-2-yl)-[3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenoxy]silane?
tri(propan-2-yl)-[3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenoxy]silane has a molecular weight of 697.28 g/mol, XLogP of 14.52, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenoxy]silane is sourced from PubChem (CID 153432761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).