2-[(1-methoxy-3-methyl-6-nitrocarbazol-9-yl)methoxy]ethyl-trimethylsilane

C20H26N2O4Si — CID 11326637

IUPAC2-[(1-methoxy-3-methyl-6-nitrocarbazol-9-yl)methoxy]ethyl-trimethylsilane
SMILESCOc1cc(C)cc2c3cc([N+](=O)[O-])ccc3n(COCC[Si](C)(C)C)c12
InChIInChI=1S/C20H26N2O4Si/c1-14-10-17-16-12-15(22(23)24)6-7-18(16)21(20(17)19(11-14)25-2)13-26-8-9-27(3,4)5/h6-7,10-12H,8-9,13H2,1-5H3
InChIKeySNLNANQXEQECHP-UHFFFAOYSA-N
MW386.52 g/mol
LogP5.33
Rot. Bonds7

About 2-[(1-methoxy-3-methyl-6-nitrocarbazol-9-yl)methoxy]ethyl-trimethylsilane

2-[(1-methoxy-3-methyl-6-nitrocarbazol-9-yl)methoxy]ethyl-trimethylsilane (PubChem CID 11326637) has the molecular formula C20H26N2O4Si and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-[(1-methoxy-3-methyl-6-nitrocarbazol-9-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(1-methoxy-3-methyl-6-nitrocarbazol-9-yl)methoxy]ethyl-trimethylsilane
PubChem CID11326637
Molecular FormulaC20H26N2O4Si
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2-[(1-methoxy-3-methyl-6-nitrocarbazol-9-yl)methoxy]ethyl-trimethylsilane
SMILESCOc1cc(C)cc2c3cc([N+](=O)[O-])ccc3n(COCC[Si](C)(C)C)c12
InChIInChI=1S/C20H26N2O4Si/c1-14-10-17-16-12-15(22(23)24)6-7-18(16)21(20(17)19(11-14)25-2)13-26-8-9-27(3,4)5/h6-7,10-12H,8-9,13H2,1-5H3
InChIKeySNLNANQXEQECHP-UHFFFAOYSA-N
XLogP5.33
TPSA66.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

trimethyl-[2-[(10-nitro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl]silane
CID 71497092
2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane
CID 155574757
trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane
CID 68672964
trimethyl-[2-[[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 147395675
trimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane
CID 173236661
trimethyl-[2-[[5-nitro-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl]silane
CID 168728003
2-[(3-isocyano-5-nitroindazol-1-yl)methoxy]ethyl-trimethylsilane;3-isocyano-1-(2-trimethylsilylethoxymethyl)indazol-5-amine
CID 160667224
2-hydrazinyl-7-nitro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 156800678
trimethyl-[3-(3-nitrocarbazol-9-yl)propyl]silane
CID 174964795
trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane
CID 11637903
trimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane
CID 175982890
2-[(3-methoxy-5-nitropyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 66614142

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methoxy-3-methyl-6-nitrocarbazol-9-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(1-methoxy-3-methyl-6-nitrocarbazol-9-yl)methoxy]ethyl-trimethylsilane (CID 11326637) is 2-[(1-methoxy-3-methyl-6-nitrocarbazol-9-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(1-methoxy-3-methyl-6-nitrocarbazol-9-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(1-methoxy-3-methyl-6-nitrocarbazol-9-yl)methoxy]ethyl-trimethylsilane is COc1cc(C)cc2c3cc([N+](=O)[O-])ccc3n(COCC[Si](C)(C)C)c12.
What is the InChIKey of 2-[(1-methoxy-3-methyl-6-nitrocarbazol-9-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is SNLNANQXEQECHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4Si/c1-14-10-17-16-12-15(22(23)24)6-7-18(16)21(20(17)19(11-14)25-2)13-26-8-9-27(3,4)5/h6-7,10-12H,8-9,13H2,1-5H3.
What are the key properties of 2-[(1-methoxy-3-methyl-6-nitrocarbazol-9-yl)methoxy]ethyl-trimethylsilane?
2-[(1-methoxy-3-methyl-6-nitrocarbazol-9-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 386.52 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methoxy-3-methyl-6-nitrocarbazol-9-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 11326637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).