trimethoxy-[3-(4-nitrophenoxy)propyl]silane

C12H19NO6Si — CID 70700788

IUPACtrimethoxy-[3-(4-nitrophenoxy)propyl]silane
SMILESCO[Si](CCCOc1ccc([N+](=O)[O-])cc1)(OC)OC
InChIInChI=1S/C12H19NO6Si/c1-16-20(17-2,18-3)10-4-9-19-12-7-5-11(6-8-12)13(14)15/h5-8H,4,9-10H2,1-3H3
InChIKeyLLHGDLUQBZRTNN-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.24
Rot. Bonds9

About trimethoxy-[3-(4-nitrophenoxy)propyl]silane

trimethoxy-[3-(4-nitrophenoxy)propyl]silane (PubChem CID 70700788) has the molecular formula C12H19NO6Si and a molecular weight of 301.37 g/mol. Its IUPAC name is trimethoxy-[3-(4-nitrophenoxy)propyl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-(4-nitrophenoxy)propyl]silane
PubChem CID70700788
Molecular FormulaC12H19NO6Si
Molecular Weight301.37 g/mol
Exact Mass301.10
IUPAC Nametrimethoxy-[3-(4-nitrophenoxy)propyl]silane
SMILESCO[Si](CCCOc1ccc([N+](=O)[O-])cc1)(OC)OC
InChIInChI=1S/C12H19NO6Si/c1-16-20(17-2,18-3)10-4-9-19-12-7-5-11(6-8-12)13(14)15/h5-8H,4,9-10H2,1-3H3
InChIKeyLLHGDLUQBZRTNN-UHFFFAOYSA-N
XLogP2.24
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Related Compounds

(4-nitrophenyl)-[4-(3-trimethoxysilylpropoxy)phenyl]diazene
CID 86173257
1-nitro-4-octadecoxybenzene
CID 4258205
1-(3-iodopropoxy)-4-nitrobenzene
CID 15675890
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
4-nitro-N-(3-trimethoxysilylpropyl)aniline
CID 71345745
1-(4-bromobutoxy)-4-nitrobenzene
CID 2063669
1-nitro-4-(4-pentoxyphenyl)benzene
CID 4261688
methyl 10-(4-nitrophenoxy)decanoate
CID 100972359
(4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 102425996
2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 170563879
1-methyl-4-[3-(4-nitrophenyl)propoxy]benzene
CID 154265214
N,N-diethyl-3-(4-nitrophenoxy)propan-1-amine;hydrochloride
CID 19863387

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[3-(4-nitrophenoxy)propyl]silane?
The IUPAC name of trimethoxy-[3-(4-nitrophenoxy)propyl]silane (CID 70700788) is trimethoxy-[3-(4-nitrophenoxy)propyl]silane.
What is the SMILES notation for trimethoxy-[3-(4-nitrophenoxy)propyl]silane?
The canonical SMILES for trimethoxy-[3-(4-nitrophenoxy)propyl]silane is CO[Si](CCCOc1ccc([N+](=O)[O-])cc1)(OC)OC.
What is the InChIKey of trimethoxy-[3-(4-nitrophenoxy)propyl]silane?
The InChIKey is LLHGDLUQBZRTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO6Si/c1-16-20(17-2,18-3)10-4-9-19-12-7-5-11(6-8-12)13(14)15/h5-8H,4,9-10H2,1-3H3.
What are the key properties of trimethoxy-[3-(4-nitrophenoxy)propyl]silane?
trimethoxy-[3-(4-nitrophenoxy)propyl]silane has a molecular weight of 301.37 g/mol, XLogP of 2.24, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-(4-nitrophenoxy)propyl]silane is sourced from PubChem (CID 70700788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).