ethyl hydrogen carbonate;1,1,2-trimethyl-2-(4-nitrophenyl)silinane

C17H27NO5Si — CID 174944961

IUPACethyl hydrogen carbonate;1,1,2-trimethyl-2-(4-nitrophenyl)silinane
SMILESCC1(c2ccc([N+](=O)[O-])cc2)CCCC[Si]1(C)C.CCOC(=O)O
InChIInChI=1S/C14H21NO2Si.C3H6O3/c1-14(10-4-5-11-18(14,2)3)12-6-8-13(9-7-12)15(16)17;1-2-6-3(4)5/h6-9H,4-5,10-11H2,1-3H3;2H2,1H3,(H,4,5)
InChIKeyMEUBELAVMLSZIF-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.98
Rot. Bonds3

About ethyl hydrogen carbonate;1,1,2-trimethyl-2-(4-nitrophenyl)silinane

ethyl hydrogen carbonate;1,1,2-trimethyl-2-(4-nitrophenyl)silinane (PubChem CID 174944961) has the molecular formula C17H27NO5Si and a molecular weight of 353.49 g/mol. Its IUPAC name is ethyl hydrogen carbonate;1,1,2-trimethyl-2-(4-nitrophenyl)silinane.

Molecular Properties

Compound Nameethyl hydrogen carbonate;1,1,2-trimethyl-2-(4-nitrophenyl)silinane
PubChem CID174944961
Molecular FormulaC17H27NO5Si
Molecular Weight353.49 g/mol
Exact Mass353.17
IUPAC Nameethyl hydrogen carbonate;1,1,2-trimethyl-2-(4-nitrophenyl)silinane
SMILESCC1(c2ccc([N+](=O)[O-])cc2)CCCC[Si]1(C)C.CCOC(=O)O
InChIInChI=1S/C14H21NO2Si.C3H6O3/c1-14(10-4-5-11-18(14,2)3)12-6-8-13(9-7-12)15(16)17;1-2-6-3(4)5/h6-9H,4-5,10-11H2,1-3H3;2H2,1H3,(H,4,5)
InChIKeyMEUBELAVMLSZIF-UHFFFAOYSA-N
XLogP4.98
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
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

[1-(4-nitrophenyl)cyclobutyl]carbamic acid
CID 138543925
copper;ethyl (E)-3-hydroxy-2-isocyano-3-(4-nitrophenyl)prop-2-enoate
CID 58773938
(4-nitrophenyl) 4-ethoxycarbonyloxybenzoate
CID 139788596
ethanol;1-methyl-4-nitrobenzene
CID 91088173
ethyl 3-(4-nitrophenyl)-2-oxopropanoate
CID 15716402
3-(4-nitrophenyl)propyl hydrogen carbonate
CID 67493125
ethyl 2-(4-nitrophenyl)-3-phenylcyclopropane-1-carboxylate
CID 142718690
ethyl 2-(4-nitrophenyl)-2-phenylacetate
CID 171639560
ethyl 2-hydroxy-3-(4-nitrophenyl)prop-2-enoate
CID 71421178
nitrobenzene;propanamide
CID 91549320
1-[1-(iodomethyl)cyclobutyl]-4-nitrobenzene
CID 59362303
[ethoxy-(4-nitrophenyl)methylidene]azanium
CID 140653146

Frequently Asked Questions

What is the IUPAC name of ethyl hydrogen carbonate;1,1,2-trimethyl-2-(4-nitrophenyl)silinane?
The IUPAC name of ethyl hydrogen carbonate;1,1,2-trimethyl-2-(4-nitrophenyl)silinane (CID 174944961) is ethyl hydrogen carbonate;1,1,2-trimethyl-2-(4-nitrophenyl)silinane.
What is the SMILES notation for ethyl hydrogen carbonate;1,1,2-trimethyl-2-(4-nitrophenyl)silinane?
The canonical SMILES for ethyl hydrogen carbonate;1,1,2-trimethyl-2-(4-nitrophenyl)silinane is CC1(c2ccc([N+](=O)[O-])cc2)CCCC[Si]1(C)C.CCOC(=O)O.
What is the InChIKey of ethyl hydrogen carbonate;1,1,2-trimethyl-2-(4-nitrophenyl)silinane?
The InChIKey is MEUBELAVMLSZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2Si.C3H6O3/c1-14(10-4-5-11-18(14,2)3)12-6-8-13(9-7-12)15(16)17;1-2-6-3(4)5/h6-9H,4-5,10-11H2,1-3H3;2H2,1H3,(H,4,5).
What are the key properties of ethyl hydrogen carbonate;1,1,2-trimethyl-2-(4-nitrophenyl)silinane?
ethyl hydrogen carbonate;1,1,2-trimethyl-2-(4-nitrophenyl)silinane has a molecular weight of 353.49 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl hydrogen carbonate;1,1,2-trimethyl-2-(4-nitrophenyl)silinane is sourced from PubChem (CID 174944961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).