tert-butyl-dimethyl-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]silane

C23H32O4Si — CID 10363637

IUPACtert-butyl-dimethyl-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]silane
SMILESCOc1cc(/C=C\c2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C23H32O4Si/c1-23(2,3)28(7,8)27-19-13-11-17(12-14-19)9-10-18-15-20(24-4)22(26-6)21(16-18)25-5/h9-16H,1-8H3/b10-9-
InChIKeyVHVFBVPDUHTLSL-KTKRTIGZSA-N
MW400.59 g/mol
LogP6.27
Rot. Bonds7

About tert-butyl-dimethyl-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]silane

tert-butyl-dimethyl-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]silane (PubChem CID 10363637) has the molecular formula C23H32O4Si and a molecular weight of 400.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]silane
PubChem CID10363637
Molecular FormulaC23H32O4Si
Molecular Weight400.59 g/mol
Exact Mass400.21
IUPAC Nametert-butyl-dimethyl-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]silane
SMILESCOc1cc(/C=C\c2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C23H32O4Si/c1-23(2,3)28(7,8)27-19-13-11-17(12-14-19)9-10-18-15-20(24-4)22(26-6)21(16-18)25-5/h9-16H,1-8H3/b10-9-
InChIKeyVHVFBVPDUHTLSL-KTKRTIGZSA-N
XLogP6.27
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.59
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tert-butyl-dimethyl-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]silane (CID 10363637) is tert-butyl-dimethyl-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]silane is COc1cc(/C=C\c2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of tert-butyl-dimethyl-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]silane?
The InChIKey is VHVFBVPDUHTLSL-KTKRTIGZSA-N. The full InChI is InChI=1S/C23H32O4Si/c1-23(2,3)28(7,8)27-19-13-11-17(12-14-19)9-10-18-15-20(24-4)22(26-6)21(16-18)25-5/h9-16H,1-8H3/b10-9-.
What are the key properties of tert-butyl-dimethyl-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]silane?
tert-butyl-dimethyl-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]silane has a molecular weight of 400.59 g/mol, XLogP of 6.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]silane is sourced from PubChem (CID 10363637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).