trimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane

C13H21NO4Si — CID 173236661

IUPACtrimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane
SMILESCc1ccc([N+](=O)[O-])cc1OCOCC[Si](C)(C)C
InChIInChI=1S/C13H21NO4Si/c1-11-5-6-12(14(15)16)9-13(11)18-10-17-7-8-19(2,3)4/h5-6,9H,7-8,10H2,1-4H3
InChIKeyUWZWHPHVQQGRIK-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.59
Rot. Bonds7

About trimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane

trimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane (PubChem CID 173236661) has the molecular formula C13H21NO4Si and a molecular weight of 283.40 g/mol. Its IUPAC name is trimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane
PubChem CID173236661
Molecular FormulaC13H21NO4Si
Molecular Weight283.40 g/mol
Exact Mass283.12
IUPAC Nametrimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane
SMILESCc1ccc([N+](=O)[O-])cc1OCOCC[Si](C)(C)C
InChIInChI=1S/C13H21NO4Si/c1-11-5-6-12(14(15)16)9-13(11)18-10-17-7-8-19(2,3)4/h5-6,9H,7-8,10H2,1-4H3
InChIKeyUWZWHPHVQQGRIK-UHFFFAOYSA-N
XLogP3.59
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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

2-[[2-(1,4-dimethylpyrazol-5-yl)-5-nitrophenoxy]methoxy]ethyl-trimethylsilane;4-(1,4-dimethylpyrazol-5-yl)-3-(2-trimethylsilylethoxymethoxy)aniline
CID 165087747
2-(2-methyl-5-nitrophenoxy)acetonitrile
CID 60779222
2-[2-(2-methyl-5-nitrophenoxy)ethoxy]ethanamine
CID 103482481
2-methyl-4-(2-methyl-5-nitrophenoxy)butan-2-ol
CID 79361061
4-(2-methyl-5-nitrophenoxy)butanenitrile
CID 61032333
1-methyl-4-nitro-2-(2,2,2-trifluoroethoxy)benzene
CID 18700159
3-(2-methyl-5-nitrophenoxy)propanamide
CID 61059962
2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine
CID 61386077
(4-nitrophenyl)-(2-trimethylsilylethoxymethoxy)methanol
CID 68894749
methyl 3-(2-methyl-5-nitrophenoxy)propanoate
CID 43520114
trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane
CID 11637903
CID 88555153
CID 88555153

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane (CID 173236661) is trimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane is Cc1ccc([N+](=O)[O-])cc1OCOCC[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane?
The InChIKey is UWZWHPHVQQGRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4Si/c1-11-5-6-12(14(15)16)9-13(11)18-10-17-7-8-19(2,3)4/h5-6,9H,7-8,10H2,1-4H3.
What are the key properties of trimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane?
trimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane has a molecular weight of 283.40 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane is sourced from PubChem (CID 173236661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).