tert-butyl-dimethyl-[(Z)-4-(5-methylpyrimidin-2-yl)-3-nitrobut-3-enoxy]silane

C15H25N3O3Si — CID 131746748

IUPACtert-butyl-dimethyl-[(Z)-4-(5-methylpyrimidin-2-yl)-3-nitrobut-3-enoxy]silane
SMILESCc1cnc(/C=C(/CCO[Si](C)(C)C(C)(C)C)[N+](=O)[O-])nc1
InChIInChI=1S/C15H25N3O3Si/c1-12-10-16-14(17-11-12)9-13(18(19)20)7-8-21-22(5,6)15(2,3)4/h9-11H,7-8H2,1-6H3/b13-9-
InChIKeyWGWGZFNATLSMQH-LCYFTJDESA-N
MW323.47 g/mol
LogP3.81
Rot. Bonds6

About tert-butyl-dimethyl-[(Z)-4-(5-methylpyrimidin-2-yl)-3-nitrobut-3-enoxy]silane

tert-butyl-dimethyl-[(Z)-4-(5-methylpyrimidin-2-yl)-3-nitrobut-3-enoxy]silane (PubChem CID 131746748) has the molecular formula C15H25N3O3Si and a molecular weight of 323.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z)-4-(5-methylpyrimidin-2-yl)-3-nitrobut-3-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z)-4-(5-methylpyrimidin-2-yl)-3-nitrobut-3-enoxy]silane
PubChem CID131746748
Molecular FormulaC15H25N3O3Si
Molecular Weight323.47 g/mol
Exact Mass323.17
IUPAC Nametert-butyl-dimethyl-[(Z)-4-(5-methylpyrimidin-2-yl)-3-nitrobut-3-enoxy]silane
SMILESCc1cnc(/C=C(/CCO[Si](C)(C)C(C)(C)C)[N+](=O)[O-])nc1
InChIInChI=1S/C15H25N3O3Si/c1-12-10-16-14(17-11-12)9-13(18(19)20)7-8-21-22(5,6)15(2,3)4/h9-11H,7-8H2,1-6H3/b13-9-
InChIKeyWGWGZFNATLSMQH-LCYFTJDESA-N
XLogP3.81
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(Z)-4-(5-methylpyrimidin-2-yl)-3-nitrobut-3-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(Z)-4-(5-methylpyrimidin-2-yl)-3-nitrobut-3-enoxy]silane (CID 131746748) is tert-butyl-dimethyl-[(Z)-4-(5-methylpyrimidin-2-yl)-3-nitrobut-3-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z)-4-(5-methylpyrimidin-2-yl)-3-nitrobut-3-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(Z)-4-(5-methylpyrimidin-2-yl)-3-nitrobut-3-enoxy]silane is Cc1cnc(/C=C(/CCO[Si](C)(C)C(C)(C)C)[N+](=O)[O-])nc1.
What is the InChIKey of tert-butyl-dimethyl-[(Z)-4-(5-methylpyrimidin-2-yl)-3-nitrobut-3-enoxy]silane?
The InChIKey is WGWGZFNATLSMQH-LCYFTJDESA-N. The full InChI is InChI=1S/C15H25N3O3Si/c1-12-10-16-14(17-11-12)9-13(18(19)20)7-8-21-22(5,6)15(2,3)4/h9-11H,7-8H2,1-6H3/b13-9-.
What are the key properties of tert-butyl-dimethyl-[(Z)-4-(5-methylpyrimidin-2-yl)-3-nitrobut-3-enoxy]silane?
tert-butyl-dimethyl-[(Z)-4-(5-methylpyrimidin-2-yl)-3-nitrobut-3-enoxy]silane has a molecular weight of 323.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z)-4-(5-methylpyrimidin-2-yl)-3-nitrobut-3-enoxy]silane is sourced from PubChem (CID 131746748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).