nitrosilane;triethoxy(3-propoxypropyl)silane

C12H31NO6Si2 — CID 174872971

IUPACnitrosilane;triethoxy(3-propoxypropyl)silane
SMILESCCCOCCC[Si](OCC)(OCC)OCC.O=[N+]([O-])[SiH3]
InChIInChI=1S/C12H28O4Si.H3NO2Si/c1-5-10-13-11-9-12-17(14-6-2,15-7-3)16-8-4;2-1(3)4/h5-12H2,1-4H3;4H3
InChIKeySYNCTBITJVTIBL-UHFFFAOYSA-N
MW341.55 g/mol
LogP1.39
Rot. Bonds12

About nitrosilane;triethoxy(3-propoxypropyl)silane

nitrosilane;triethoxy(3-propoxypropyl)silane (PubChem CID 174872971) has the molecular formula C12H31NO6Si2 and a molecular weight of 341.55 g/mol. Its IUPAC name is nitrosilane;triethoxy(3-propoxypropyl)silane.

Molecular Properties

Compound Namenitrosilane;triethoxy(3-propoxypropyl)silane
PubChem CID174872971
Molecular FormulaC12H31NO6Si2
Molecular Weight341.55 g/mol
Exact Mass341.17
IUPAC Namenitrosilane;triethoxy(3-propoxypropyl)silane
SMILESCCCOCCC[Si](OCC)(OCC)OCC.O=[N+]([O-])[SiH3]
InChIInChI=1S/C12H28O4Si.H3NO2Si/c1-5-10-13-11-9-12-17(14-6-2,15-7-3)16-8-4;2-1(3)4/h5-12H2,1-4H3;4H3
InChIKeySYNCTBITJVTIBL-UHFFFAOYSA-N
XLogP1.39
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.55
LogP ≤ 51.39
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

triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805
triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane
CID 90147860
3-(3-triethoxysilylpropoxy)propan-1-amine
CID 54154158
methane;triethoxy-[3-(2-hexadecoxyethoxy)propyl]silane
CID 161118607
trihexoxy(3-propoxypropyl)silane
CID 90222571
1-(3-triethoxysilylpropoxy)-N,N-bis(trimethylsilyl)methanamine
CID 90354545
3-methyl-1-(3-triethoxysilylpropoxy)but-3-en-2-one
CID 151724691
triethoxy(3-methoxypropyl)silane
CID 22712922
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine
CID 141439893
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
dodecyl(triethoxy)silane;tridecane
CID 174970002

Frequently Asked Questions

What is the IUPAC name of nitrosilane;triethoxy(3-propoxypropyl)silane?
The IUPAC name of nitrosilane;triethoxy(3-propoxypropyl)silane (CID 174872971) is nitrosilane;triethoxy(3-propoxypropyl)silane.
What is the SMILES notation for nitrosilane;triethoxy(3-propoxypropyl)silane?
The canonical SMILES for nitrosilane;triethoxy(3-propoxypropyl)silane is CCCOCCC[Si](OCC)(OCC)OCC.O=[N+]([O-])[SiH3].
What is the InChIKey of nitrosilane;triethoxy(3-propoxypropyl)silane?
The InChIKey is SYNCTBITJVTIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O4Si.H3NO2Si/c1-5-10-13-11-9-12-17(14-6-2,15-7-3)16-8-4;2-1(3)4/h5-12H2,1-4H3;4H3.
What are the key properties of nitrosilane;triethoxy(3-propoxypropyl)silane?
nitrosilane;triethoxy(3-propoxypropyl)silane has a molecular weight of 341.55 g/mol, XLogP of 1.39, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for nitrosilane;triethoxy(3-propoxypropyl)silane is sourced from PubChem (CID 174872971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).