[(E)-but-1-enyl]-dimethyl-[(4-nitrophenoxy)methyl]silane

C13H19NO3Si — CID 23455514

IUPAC[(E)-but-1-enyl]-dimethyl-[(4-nitrophenoxy)methyl]silane
SMILESCC/C=C/[Si](C)(C)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H19NO3Si/c1-4-5-10-18(2,3)11-17-13-8-6-12(7-9-13)14(15)16/h5-10H,4,11H2,1-3H3/b10-5+
InChIKeyNRILZAQZWWQPMY-BJMVGYQFSA-N
MW265.39 g/mol
LogP3.73
Rot. Bonds6

About [(E)-but-1-enyl]-dimethyl-[(4-nitrophenoxy)methyl]silane

[(E)-but-1-enyl]-dimethyl-[(4-nitrophenoxy)methyl]silane (PubChem CID 23455514) has the molecular formula C13H19NO3Si and a molecular weight of 265.39 g/mol. Its IUPAC name is [(E)-but-1-enyl]-dimethyl-[(4-nitrophenoxy)methyl]silane.

Molecular Properties

Compound Name[(E)-but-1-enyl]-dimethyl-[(4-nitrophenoxy)methyl]silane
PubChem CID23455514
Molecular FormulaC13H19NO3Si
Molecular Weight265.39 g/mol
Exact Mass265.11
IUPAC Name[(E)-but-1-enyl]-dimethyl-[(4-nitrophenoxy)methyl]silane
SMILESCC/C=C/[Si](C)(C)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H19NO3Si/c1-4-5-10-18(2,3)11-17-13-8-6-12(7-9-13)14(15)16/h5-10H,4,11H2,1-3H3/b10-5+
InChIKeyNRILZAQZWWQPMY-BJMVGYQFSA-N
XLogP3.73
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

[dimethyl-[(4-nitrophenoxy)methyl]silyl]oxy-ethenyl-dimethylsilane
CID 54082627
1-nitro-4-octadecoxybenzene
CID 4258205
N,N-bis(4-ethoxyphenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 102288244
(4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 102425996
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
N,N-diethyl-10-[4-[(4-nitrophenyl)diazenyl]phenoxy]decan-1-amine
CID 101457870
N,N-diethyl-6-[4-[(4-nitrophenyl)diazenyl]phenoxy]hexan-1-amine
CID 101077613
1-nitro-4-(4-pentoxyphenyl)benzene
CID 4261688
trimethoxy-[3-(4-nitrophenoxy)propyl]silane
CID 70700788
(4-nitrophenyl)-[4-(3-trimethoxysilylpropoxy)phenyl]diazene
CID 86173257
formic acid;1-hexoxy-4-nitrobenzene
CID 171658812
2-(4-nitrophenoxy)ethyl formate
CID 91696305

Frequently Asked Questions

What is the IUPAC name of [(E)-but-1-enyl]-dimethyl-[(4-nitrophenoxy)methyl]silane?
The IUPAC name of [(E)-but-1-enyl]-dimethyl-[(4-nitrophenoxy)methyl]silane (CID 23455514) is [(E)-but-1-enyl]-dimethyl-[(4-nitrophenoxy)methyl]silane.
What is the SMILES notation for [(E)-but-1-enyl]-dimethyl-[(4-nitrophenoxy)methyl]silane?
The canonical SMILES for [(E)-but-1-enyl]-dimethyl-[(4-nitrophenoxy)methyl]silane is CC/C=C/[Si](C)(C)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [(E)-but-1-enyl]-dimethyl-[(4-nitrophenoxy)methyl]silane?
The InChIKey is NRILZAQZWWQPMY-BJMVGYQFSA-N. The full InChI is InChI=1S/C13H19NO3Si/c1-4-5-10-18(2,3)11-17-13-8-6-12(7-9-13)14(15)16/h5-10H,4,11H2,1-3H3/b10-5+.
What are the key properties of [(E)-but-1-enyl]-dimethyl-[(4-nitrophenoxy)methyl]silane?
[(E)-but-1-enyl]-dimethyl-[(4-nitrophenoxy)methyl]silane has a molecular weight of 265.39 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-1-enyl]-dimethyl-[(4-nitrophenoxy)methyl]silane is sourced from PubChem (CID 23455514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).