tert-butyl-dimethyl-[4-(2-prop-1-enyl-1H-phthalazin-1-yl)phenoxy]silane

C23H30N2OSi — CID 57167771

IUPACtert-butyl-dimethyl-[4-(2-prop-1-enyl-1H-phthalazin-1-yl)phenoxy]silane
SMILESCC=CN1N=Cc2ccccc2C1c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C23H30N2OSi/c1-7-16-25-22(21-11-9-8-10-19(21)17-24-25)18-12-14-20(15-13-18)26-27(5,6)23(2,3)4/h7-17,22H,1-6H3
InChIKeyHHYYBBYRPIVPMF-UHFFFAOYSA-N
MW378.59 g/mol
LogP6.34
Rot. Bonds4

About tert-butyl-dimethyl-[4-(2-prop-1-enyl-1H-phthalazin-1-yl)phenoxy]silane

tert-butyl-dimethyl-[4-(2-prop-1-enyl-1H-phthalazin-1-yl)phenoxy]silane (PubChem CID 57167771) has the molecular formula C23H30N2OSi and a molecular weight of 378.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-(2-prop-1-enyl-1H-phthalazin-1-yl)phenoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-(2-prop-1-enyl-1H-phthalazin-1-yl)phenoxy]silane
PubChem CID57167771
Molecular FormulaC23H30N2OSi
Molecular Weight378.59 g/mol
Exact Mass378.21
IUPAC Nametert-butyl-dimethyl-[4-(2-prop-1-enyl-1H-phthalazin-1-yl)phenoxy]silane
SMILESCC=CN1N=Cc2ccccc2C1c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C23H30N2OSi/c1-7-16-25-22(21-11-9-8-10-19(21)17-24-25)18-12-14-20(15-13-18)26-27(5,6)23(2,3)4/h7-17,22H,1-6H3
InChIKeyHHYYBBYRPIVPMF-UHFFFAOYSA-N
XLogP6.34
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.59
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-prop-1-enyl-1H-phthalazin-1-yl)phenoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[4-(2-prop-1-enyl-1H-phthalazin-1-yl)phenoxy]silane (CID 57167771) is tert-butyl-dimethyl-[4-(2-prop-1-enyl-1H-phthalazin-1-yl)phenoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[4-(2-prop-1-enyl-1H-phthalazin-1-yl)phenoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[4-(2-prop-1-enyl-1H-phthalazin-1-yl)phenoxy]silane is CC=CN1N=Cc2ccccc2C1c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-dimethyl-[4-(2-prop-1-enyl-1H-phthalazin-1-yl)phenoxy]silane?
The InChIKey is HHYYBBYRPIVPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2OSi/c1-7-16-25-22(21-11-9-8-10-19(21)17-24-25)18-12-14-20(15-13-18)26-27(5,6)23(2,3)4/h7-17,22H,1-6H3.
What are the key properties of tert-butyl-dimethyl-[4-(2-prop-1-enyl-1H-phthalazin-1-yl)phenoxy]silane?
tert-butyl-dimethyl-[4-(2-prop-1-enyl-1H-phthalazin-1-yl)phenoxy]silane has a molecular weight of 378.59 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-(2-prop-1-enyl-1H-phthalazin-1-yl)phenoxy]silane is sourced from PubChem (CID 57167771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).