butyl-dimethyl-(3-nitropropoxy)silane

C9H21NO3Si — CID 150865981

IUPACbutyl-dimethyl-(3-nitropropoxy)silane
SMILESCCCC[Si](C)(C)OCCC[N+](=O)[O-]
InChIInChI=1S/C9H21NO3Si/c1-4-5-9-14(2,3)13-8-6-7-10(11)12/h4-9H2,1-3H3
InChIKeyKTBAHVDVBUMYQG-UHFFFAOYSA-N
MW219.36 g/mol
LogP2.67
Rot. Bonds8

About butyl-dimethyl-(3-nitropropoxy)silane

butyl-dimethyl-(3-nitropropoxy)silane (PubChem CID 150865981) has the molecular formula C9H21NO3Si and a molecular weight of 219.36 g/mol. Its IUPAC name is butyl-dimethyl-(3-nitropropoxy)silane.

Molecular Properties

Compound Namebutyl-dimethyl-(3-nitropropoxy)silane
PubChem CID150865981
Molecular FormulaC9H21NO3Si
Molecular Weight219.36 g/mol
Exact Mass219.13
IUPAC Namebutyl-dimethyl-(3-nitropropoxy)silane
SMILESCCCC[Si](C)(C)OCCC[N+](=O)[O-]
InChIInChI=1S/C9H21NO3Si/c1-4-5-9-14(2,3)13-8-6-7-10(11)12/h4-9H2,1-3H3
InChIKeyKTBAHVDVBUMYQG-UHFFFAOYSA-N
XLogP2.67
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.36
LogP ≤ 52.67
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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Related Compounds

butyl-dimethyl-octoxysilane
CID 604386
hexadecoxy-dimethyl-octylsilane
CID 627002
dodecoxy-dimethyl-octylsilane
CID 618139
6-bromohexoxy-butyl-dimethylsilane
CID 154264730
3-bromopropyl-butoxy-dimethylsilane
CID 140743893
1-nitrotriacontane
CID 154217337
butoxy-dimethyl-propylsilane;butyl-hydroxy-dimethylsilane
CID 174694478
butoxy-dimethyl-propylsilane;isocyanic acid
CID 172732082
3-bromobutoxy-butyl-dimethylsilane
CID 175822567
3-[butoxy(dimethyl)silyl]propyl prop-2-enoate
CID 142550479
butyl-dimethyl-(2-phenylethoxy)silane
CID 601576
4-[butoxy(dimethyl)silyl]butyl prop-2-enoate
CID 151407339

Frequently Asked Questions

What is the IUPAC name of butyl-dimethyl-(3-nitropropoxy)silane?
The IUPAC name of butyl-dimethyl-(3-nitropropoxy)silane (CID 150865981) is butyl-dimethyl-(3-nitropropoxy)silane.
What is the SMILES notation for butyl-dimethyl-(3-nitropropoxy)silane?
The canonical SMILES for butyl-dimethyl-(3-nitropropoxy)silane is CCCC[Si](C)(C)OCCC[N+](=O)[O-].
What is the InChIKey of butyl-dimethyl-(3-nitropropoxy)silane?
The InChIKey is KTBAHVDVBUMYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3Si/c1-4-5-9-14(2,3)13-8-6-7-10(11)12/h4-9H2,1-3H3.
What are the key properties of butyl-dimethyl-(3-nitropropoxy)silane?
butyl-dimethyl-(3-nitropropoxy)silane has a molecular weight of 219.36 g/mol, XLogP of 2.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-(3-nitropropoxy)silane is sourced from PubChem (CID 150865981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).