trimethyl-[4-[(E)-4-(4-trimethylsilyloxyphenyl)hex-3-en-3-yl]phenoxy]silane

C24H36O2Si2 — CID 5366813

IUPACtrimethyl-[4-[(E)-4-(4-trimethylsilyloxyphenyl)hex-3-en-3-yl]phenoxy]silane
SMILESCC/C(=C(/CC)c1ccc(O[Si](C)(C)C)cc1)c1ccc(O[Si](C)(C)C)cc1
InChIInChI=1S/C24H36O2Si2/c1-9-23(19-11-15-21(16-12-19)25-27(3,4)5)24(10-2)20-13-17-22(18-14-20)26-28(6,7)8/h11-18H,9-10H2,1-8H3/b24-23+
InChIKeyXLHDQZMLRVWJCX-WCWDXBQESA-N
MW412.72 g/mol
LogP7.84
Rot. Bonds8

About trimethyl-[4-[(E)-4-(4-trimethylsilyloxyphenyl)hex-3-en-3-yl]phenoxy]silane

trimethyl-[4-[(E)-4-(4-trimethylsilyloxyphenyl)hex-3-en-3-yl]phenoxy]silane (PubChem CID 5366813) has the molecular formula C24H36O2Si2 and a molecular weight of 412.72 g/mol. Its IUPAC name is trimethyl-[4-[(E)-4-(4-trimethylsilyloxyphenyl)hex-3-en-3-yl]phenoxy]silane.

Molecular Properties

Compound Nametrimethyl-[4-[(E)-4-(4-trimethylsilyloxyphenyl)hex-3-en-3-yl]phenoxy]silane
PubChem CID5366813
Molecular FormulaC24H36O2Si2
Molecular Weight412.72 g/mol
Exact Mass412.23
IUPAC Nametrimethyl-[4-[(E)-4-(4-trimethylsilyloxyphenyl)hex-3-en-3-yl]phenoxy]silane
SMILESCC/C(=C(/CC)c1ccc(O[Si](C)(C)C)cc1)c1ccc(O[Si](C)(C)C)cc1
InChIInChI=1S/C24H36O2Si2/c1-9-23(19-11-15-21(16-12-19)25-27(3,4)5)24(10-2)20-13-17-22(18-14-20)26-28(6,7)8/h11-18H,9-10H2,1-8H3/b24-23+
InChIKeyXLHDQZMLRVWJCX-WCWDXBQESA-N
XLogP7.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.72
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 trimethyl-[4-[(E)-4-(4-trimethylsilyloxyphenyl)hex-3-en-3-yl]phenoxy]silane?
The IUPAC name of trimethyl-[4-[(E)-4-(4-trimethylsilyloxyphenyl)hex-3-en-3-yl]phenoxy]silane (CID 5366813) is trimethyl-[4-[(E)-4-(4-trimethylsilyloxyphenyl)hex-3-en-3-yl]phenoxy]silane.
What is the SMILES notation for trimethyl-[4-[(E)-4-(4-trimethylsilyloxyphenyl)hex-3-en-3-yl]phenoxy]silane?
The canonical SMILES for trimethyl-[4-[(E)-4-(4-trimethylsilyloxyphenyl)hex-3-en-3-yl]phenoxy]silane is CC/C(=C(/CC)c1ccc(O[Si](C)(C)C)cc1)c1ccc(O[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[4-[(E)-4-(4-trimethylsilyloxyphenyl)hex-3-en-3-yl]phenoxy]silane?
The InChIKey is XLHDQZMLRVWJCX-WCWDXBQESA-N. The full InChI is InChI=1S/C24H36O2Si2/c1-9-23(19-11-15-21(16-12-19)25-27(3,4)5)24(10-2)20-13-17-22(18-14-20)26-28(6,7)8/h11-18H,9-10H2,1-8H3/b24-23+.
What are the key properties of trimethyl-[4-[(E)-4-(4-trimethylsilyloxyphenyl)hex-3-en-3-yl]phenoxy]silane?
trimethyl-[4-[(E)-4-(4-trimethylsilyloxyphenyl)hex-3-en-3-yl]phenoxy]silane has a molecular weight of 412.72 g/mol, XLogP of 7.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[(E)-4-(4-trimethylsilyloxyphenyl)hex-3-en-3-yl]phenoxy]silane is sourced from PubChem (CID 5366813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).