(4,5-dimethoxy-2-nitrophenyl)methyl-trimethylsilane

C12H19NO4Si — CID 14108631

IUPAC(4,5-dimethoxy-2-nitrophenyl)methyl-trimethylsilane
SMILESCOc1cc(C[Si](C)(C)C)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C12H19NO4Si/c1-16-11-6-9(8-18(3,4)5)10(13(14)15)7-12(11)17-2/h6-7H,8H2,1-5H3
InChIKeyZCPAYNXQWAYNMA-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.03
Rot. Bonds5

About (4,5-dimethoxy-2-nitrophenyl)methyl-trimethylsilane

(4,5-dimethoxy-2-nitrophenyl)methyl-trimethylsilane (PubChem CID 14108631) has the molecular formula C12H19NO4Si and a molecular weight of 269.37 g/mol. Its IUPAC name is (4,5-dimethoxy-2-nitrophenyl)methyl-trimethylsilane.

Molecular Properties

Compound Name(4,5-dimethoxy-2-nitrophenyl)methyl-trimethylsilane
PubChem CID14108631
Molecular FormulaC12H19NO4Si
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name(4,5-dimethoxy-2-nitrophenyl)methyl-trimethylsilane
SMILESCOc1cc(C[Si](C)(C)C)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C12H19NO4Si/c1-16-11-6-9(8-18(3,4)5)10(13(14)15)7-12(11)17-2/h6-7H,8H2,1-5H3
InChIKeyZCPAYNXQWAYNMA-UHFFFAOYSA-N
XLogP3.03
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

sodium (4,5-dimethoxy-2-nitrophenyl)methoxymethanone
CID 155726894
1-(4,5-dimethoxy-2-nitrophenyl)butan-2-one
CID 83008688
chloro 2-(4,5-dimethoxy-2-nitrophenyl)acetate
CID 66825141
bis((4,5-dimethoxy-2-nitrophenyl)methyl propanoate);methane
CID 160819658
(4-ethoxy-5-methoxy-2-nitrophenyl)methanol
CID 43311689
(4,5-dimethoxy-2-nitrophenyl)methyl methyl carbonate
CID 163219715
1-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperidine
CID 783473
2-(4,5-dimethoxy-2-nitrophenyl)ethyl methanesulfonate
CID 18789880
[4-[2-(dimethylamino)ethoxy]-5-methoxy-2-nitrophenyl]methanol
CID 43311741
2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethanamine
CID 112720413
(4,5-dimethoxy-2-nitrophenyl)methyl carbamoperoxoate
CID 155576632
1-(bromomethyl)-5-methoxy-4-(2-methylpropoxy)-2-nitrobenzene
CID 43311784

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-nitrophenyl)methyl-trimethylsilane?
The IUPAC name of (4,5-dimethoxy-2-nitrophenyl)methyl-trimethylsilane (CID 14108631) is (4,5-dimethoxy-2-nitrophenyl)methyl-trimethylsilane.
What is the SMILES notation for (4,5-dimethoxy-2-nitrophenyl)methyl-trimethylsilane?
The canonical SMILES for (4,5-dimethoxy-2-nitrophenyl)methyl-trimethylsilane is COc1cc(C[Si](C)(C)C)c([N+](=O)[O-])cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-nitrophenyl)methyl-trimethylsilane?
The InChIKey is ZCPAYNXQWAYNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4Si/c1-16-11-6-9(8-18(3,4)5)10(13(14)15)7-12(11)17-2/h6-7H,8H2,1-5H3.
What are the key properties of (4,5-dimethoxy-2-nitrophenyl)methyl-trimethylsilane?
(4,5-dimethoxy-2-nitrophenyl)methyl-trimethylsilane has a molecular weight of 269.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-nitrophenyl)methyl-trimethylsilane is sourced from PubChem (CID 14108631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).