triethyl-[[(5R)-8-methyl-5-(3-nitro-4-pyridinyl)-4-oxaspiro[2.5]oct-7-en-7-yl]oxy]silane

C19H28N2O4Si — CID 66652518

IUPACtriethyl-[[(5R)-8-methyl-5-(3-nitro-4-pyridinyl)-4-oxaspiro[2.5]oct-7-en-7-yl]oxy]silane
SMILESCC[Si](CC)(CC)OC1=C(C)C2(CC2)O[C@@H](c2ccncc2[N+](=O)[O-])C1
InChIInChI=1S/C19H28N2O4Si/c1-5-26(6-2,7-3)25-17-12-18(24-19(9-10-19)14(17)4)15-8-11-20-13-16(15)21(22)23/h8,11,13,18H,5-7,9-10,12H2,1-4H3/t18-/m1/s1
InChIKeyRVDIGGPTBIRBCN-GOSISDBHSA-N
MW376.53 g/mol
LogP5.28
Rot. Bonds7

About triethyl-[[(5R)-8-methyl-5-(3-nitro-4-pyridinyl)-4-oxaspiro[2.5]oct-7-en-7-yl]oxy]silane

triethyl-[[(5R)-8-methyl-5-(3-nitro-4-pyridinyl)-4-oxaspiro[2.5]oct-7-en-7-yl]oxy]silane (PubChem CID 66652518) has the molecular formula C19H28N2O4Si and a molecular weight of 376.53 g/mol. Its IUPAC name is triethyl-[[(5R)-8-methyl-5-(3-nitro-4-pyridinyl)-4-oxaspiro[2.5]oct-7-en-7-yl]oxy]silane.

Molecular Properties

Compound Nametriethyl-[[(5R)-8-methyl-5-(3-nitro-4-pyridinyl)-4-oxaspiro[2.5]oct-7-en-7-yl]oxy]silane
PubChem CID66652518
Molecular FormulaC19H28N2O4Si
Molecular Weight376.53 g/mol
Exact Mass376.18
IUPAC Nametriethyl-[[(5R)-8-methyl-5-(3-nitro-4-pyridinyl)-4-oxaspiro[2.5]oct-7-en-7-yl]oxy]silane
SMILESCC[Si](CC)(CC)OC1=C(C)C2(CC2)O[C@@H](c2ccncc2[N+](=O)[O-])C1
InChIInChI=1S/C19H28N2O4Si/c1-5-26(6-2,7-3)25-17-12-18(24-19(9-10-19)14(17)4)15-8-11-20-13-16(15)21(22)23/h8,11,13,18H,5-7,9-10,12H2,1-4H3/t18-/m1/s1
InChIKeyRVDIGGPTBIRBCN-GOSISDBHSA-N
XLogP5.28
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.53
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of triethyl-[[(5R)-8-methyl-5-(3-nitro-4-pyridinyl)-4-oxaspiro[2.5]oct-7-en-7-yl]oxy]silane?
The IUPAC name of triethyl-[[(5R)-8-methyl-5-(3-nitro-4-pyridinyl)-4-oxaspiro[2.5]oct-7-en-7-yl]oxy]silane (CID 66652518) is triethyl-[[(5R)-8-methyl-5-(3-nitro-4-pyridinyl)-4-oxaspiro[2.5]oct-7-en-7-yl]oxy]silane.
What is the SMILES notation for triethyl-[[(5R)-8-methyl-5-(3-nitro-4-pyridinyl)-4-oxaspiro[2.5]oct-7-en-7-yl]oxy]silane?
The canonical SMILES for triethyl-[[(5R)-8-methyl-5-(3-nitro-4-pyridinyl)-4-oxaspiro[2.5]oct-7-en-7-yl]oxy]silane is CC[Si](CC)(CC)OC1=C(C)C2(CC2)O[C@@H](c2ccncc2[N+](=O)[O-])C1.
What is the InChIKey of triethyl-[[(5R)-8-methyl-5-(3-nitro-4-pyridinyl)-4-oxaspiro[2.5]oct-7-en-7-yl]oxy]silane?
The InChIKey is RVDIGGPTBIRBCN-GOSISDBHSA-N. The full InChI is InChI=1S/C19H28N2O4Si/c1-5-26(6-2,7-3)25-17-12-18(24-19(9-10-19)14(17)4)15-8-11-20-13-16(15)21(22)23/h8,11,13,18H,5-7,9-10,12H2,1-4H3/t18-/m1/s1.
What are the key properties of triethyl-[[(5R)-8-methyl-5-(3-nitro-4-pyridinyl)-4-oxaspiro[2.5]oct-7-en-7-yl]oxy]silane?
triethyl-[[(5R)-8-methyl-5-(3-nitro-4-pyridinyl)-4-oxaspiro[2.5]oct-7-en-7-yl]oxy]silane has a molecular weight of 376.53 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[[(5R)-8-methyl-5-(3-nitro-4-pyridinyl)-4-oxaspiro[2.5]oct-7-en-7-yl]oxy]silane is sourced from PubChem (CID 66652518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).