tert-butyl-dimethyl-[[(2R)-1-(3-methyl-4-nitrophenyl)pyrrolidin-2-yl]methoxy]silane

C18H30N2O3Si — CID 59003386

IUPACtert-butyl-dimethyl-[[(2R)-1-(3-methyl-4-nitrophenyl)pyrrolidin-2-yl]methoxy]silane
SMILESCc1cc(N2CCC[C@@H]2CO[Si](C)(C)C(C)(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C18H30N2O3Si/c1-14-12-15(9-10-17(14)20(21)22)19-11-7-8-16(19)13-23-24(5,6)18(2,3)4/h9-10,12,16H,7-8,11,13H2,1-6H3/t16-/m1/s1
InChIKeyPOJMTNUVXNIRLB-MRXNPFEDSA-N
MW350.54 g/mol
LogP4.89
Rot. Bonds5

About tert-butyl-dimethyl-[[(2R)-1-(3-methyl-4-nitrophenyl)pyrrolidin-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2R)-1-(3-methyl-4-nitrophenyl)pyrrolidin-2-yl]methoxy]silane (PubChem CID 59003386) has the molecular formula C18H30N2O3Si and a molecular weight of 350.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2R)-1-(3-methyl-4-nitrophenyl)pyrrolidin-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2R)-1-(3-methyl-4-nitrophenyl)pyrrolidin-2-yl]methoxy]silane
PubChem CID59003386
Molecular FormulaC18H30N2O3Si
Molecular Weight350.54 g/mol
Exact Mass350.20
IUPAC Nametert-butyl-dimethyl-[[(2R)-1-(3-methyl-4-nitrophenyl)pyrrolidin-2-yl]methoxy]silane
SMILESCc1cc(N2CCC[C@@H]2CO[Si](C)(C)C(C)(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C18H30N2O3Si/c1-14-12-15(9-10-17(14)20(21)22)19-11-7-8-16(19)13-23-24(5,6)18(2,3)4/h9-10,12,16H,7-8,11,13H2,1-6H3/t16-/m1/s1
InChIKeyPOJMTNUVXNIRLB-MRXNPFEDSA-N
XLogP4.89
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.54
LogP ≤ 54.89
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2R)-1-(3-methyl-4-nitrophenyl)pyrrolidin-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2R)-1-(3-methyl-4-nitrophenyl)pyrrolidin-2-yl]methoxy]silane (CID 59003386) is tert-butyl-dimethyl-[[(2R)-1-(3-methyl-4-nitrophenyl)pyrrolidin-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2R)-1-(3-methyl-4-nitrophenyl)pyrrolidin-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2R)-1-(3-methyl-4-nitrophenyl)pyrrolidin-2-yl]methoxy]silane is Cc1cc(N2CCC[C@@H]2CO[Si](C)(C)C(C)(C)C)ccc1[N+](=O)[O-].
What is the InChIKey of tert-butyl-dimethyl-[[(2R)-1-(3-methyl-4-nitrophenyl)pyrrolidin-2-yl]methoxy]silane?
The InChIKey is POJMTNUVXNIRLB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H30N2O3Si/c1-14-12-15(9-10-17(14)20(21)22)19-11-7-8-16(19)13-23-24(5,6)18(2,3)4/h9-10,12,16H,7-8,11,13H2,1-6H3/t16-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(2R)-1-(3-methyl-4-nitrophenyl)pyrrolidin-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2R)-1-(3-methyl-4-nitrophenyl)pyrrolidin-2-yl]methoxy]silane has a molecular weight of 350.54 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2R)-1-(3-methyl-4-nitrophenyl)pyrrolidin-2-yl]methoxy]silane is sourced from PubChem (CID 59003386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).