tert-butyl-dimethyl-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]silane

C19H25NOSi — CID 139257897

IUPACtert-butyl-dimethyl-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]silane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(/C=C/c2ccncc2)cc1
InChIInChI=1S/C19H25NOSi/c1-19(2,3)22(4,5)21-18-10-8-16(9-11-18)6-7-17-12-14-20-15-13-17/h6-15H,1-5H3/b7-6+
InChIKeyVGTBJAHBRYSQNM-VOTSOKGWSA-N
MW311.50 g/mol
LogP5.64
Rot. Bonds4

About tert-butyl-dimethyl-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]silane

tert-butyl-dimethyl-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]silane (PubChem CID 139257897) has the molecular formula C19H25NOSi and a molecular weight of 311.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]silane
PubChem CID139257897
Molecular FormulaC19H25NOSi
Molecular Weight311.50 g/mol
Exact Mass311.17
IUPAC Nametert-butyl-dimethyl-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]silane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(/C=C/c2ccncc2)cc1
InChIInChI=1S/C19H25NOSi/c1-19(2,3)22(4,5)21-18-10-8-16(9-11-18)6-7-17-12-14-20-15-13-17/h6-15H,1-5H3/b7-6+
InChIKeyVGTBJAHBRYSQNM-VOTSOKGWSA-N
XLogP5.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.50
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tert-butyl-dimethyl-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]silane (CID 139257897) is tert-butyl-dimethyl-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]silane is CC(C)(C)[Si](C)(C)Oc1ccc(/C=C/c2ccncc2)cc1.
What is the InChIKey of tert-butyl-dimethyl-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]silane?
The InChIKey is VGTBJAHBRYSQNM-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H25NOSi/c1-19(2,3)22(4,5)21-18-10-8-16(9-11-18)6-7-17-12-14-20-15-13-17/h6-15H,1-5H3/b7-6+.
What are the key properties of tert-butyl-dimethyl-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]silane?
tert-butyl-dimethyl-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]silane has a molecular weight of 311.50 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]silane is sourced from PubChem (CID 139257897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).