tert-butyl-(3-nitropropoxy)-diphenylsilane

C19H25NO3Si — CID 15174643

IUPACtert-butyl-(3-nitropropoxy)-diphenylsilane
SMILESCC(C)(C)[Si](OCCC[N+](=O)[O-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO3Si/c1-19(2,3)24(17-11-6-4-7-12-17,18-13-8-5-9-14-18)23-16-10-15-20(21)22/h4-9,11-14H,10,15-16H2,1-3H3
InChIKeySIMNRISRZGFDTF-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.23
Rot. Bonds7

About tert-butyl-(3-nitropropoxy)-diphenylsilane

tert-butyl-(3-nitropropoxy)-diphenylsilane (PubChem CID 15174643) has the molecular formula C19H25NO3Si and a molecular weight of 343.50 g/mol. Its IUPAC name is tert-butyl-(3-nitropropoxy)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(3-nitropropoxy)-diphenylsilane
PubChem CID15174643
Molecular FormulaC19H25NO3Si
Molecular Weight343.50 g/mol
Exact Mass343.16
IUPAC Nametert-butyl-(3-nitropropoxy)-diphenylsilane
SMILESCC(C)(C)[Si](OCCC[N+](=O)[O-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO3Si/c1-19(2,3)24(17-11-6-4-7-12-17,18-13-8-5-9-14-18)23-16-10-15-20(21)22/h4-9,11-14H,10,15-16H2,1-3H3
InChIKeySIMNRISRZGFDTF-UHFFFAOYSA-N
XLogP3.23
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-nitropropoxy)-diphenylsilane?
The IUPAC name of tert-butyl-(3-nitropropoxy)-diphenylsilane (CID 15174643) is tert-butyl-(3-nitropropoxy)-diphenylsilane.
What is the SMILES notation for tert-butyl-(3-nitropropoxy)-diphenylsilane?
The canonical SMILES for tert-butyl-(3-nitropropoxy)-diphenylsilane is CC(C)(C)[Si](OCCC[N+](=O)[O-])(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-(3-nitropropoxy)-diphenylsilane?
The InChIKey is SIMNRISRZGFDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3Si/c1-19(2,3)24(17-11-6-4-7-12-17,18-13-8-5-9-14-18)23-16-10-15-20(21)22/h4-9,11-14H,10,15-16H2,1-3H3.
What are the key properties of tert-butyl-(3-nitropropoxy)-diphenylsilane?
tert-butyl-(3-nitropropoxy)-diphenylsilane has a molecular weight of 343.50 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-nitropropoxy)-diphenylsilane is sourced from PubChem (CID 15174643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).