(E)-N-tri(propan-2-yl)silyloxy-2,3-dihydroinden-1-imine

C18H29NOSi — CID 11652410

IUPAC(E)-N-tri(propan-2-yl)silyloxy-2,3-dihydroinden-1-imine
SMILESCC(C)[Si](O/N=C1\CCc2ccccc21)(C(C)C)C(C)C
InChIInChI=1S/C18H29NOSi/c1-13(2)21(14(3)4,15(5)6)20-19-18-12-11-16-9-7-8-10-17(16)18/h7-10,13-15H,11-12H2,1-6H3/b19-18+
InChIKeyIVQRPUFQOBUFPG-VHEBQXMUSA-N
MW303.52 g/mol
LogP5.53
Rot. Bonds5

About (E)-N-tri(propan-2-yl)silyloxy-2,3-dihydroinden-1-imine

(E)-N-tri(propan-2-yl)silyloxy-2,3-dihydroinden-1-imine (PubChem CID 11652410) has the molecular formula C18H29NOSi and a molecular weight of 303.52 g/mol. Its IUPAC name is (E)-N-tri(propan-2-yl)silyloxy-2,3-dihydroinden-1-imine.

Molecular Properties

Compound Name(E)-N-tri(propan-2-yl)silyloxy-2,3-dihydroinden-1-imine
PubChem CID11652410
Molecular FormulaC18H29NOSi
Molecular Weight303.52 g/mol
Exact Mass303.20
IUPAC Name(E)-N-tri(propan-2-yl)silyloxy-2,3-dihydroinden-1-imine
SMILESCC(C)[Si](O/N=C1\CCc2ccccc21)(C(C)C)C(C)C
InChIInChI=1S/C18H29NOSi/c1-13(2)21(14(3)4,15(5)6)20-19-18-12-11-16-9-7-8-10-17(16)18/h7-10,13-15H,11-12H2,1-6H3/b19-18+
InChIKeyIVQRPUFQOBUFPG-VHEBQXMUSA-N
XLogP5.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.52
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (E)-N-tri(propan-2-yl)silyloxy-2,3-dihydroinden-1-imine?
The IUPAC name of (E)-N-tri(propan-2-yl)silyloxy-2,3-dihydroinden-1-imine (CID 11652410) is (E)-N-tri(propan-2-yl)silyloxy-2,3-dihydroinden-1-imine.
What is the SMILES notation for (E)-N-tri(propan-2-yl)silyloxy-2,3-dihydroinden-1-imine?
The canonical SMILES for (E)-N-tri(propan-2-yl)silyloxy-2,3-dihydroinden-1-imine is CC(C)[Si](O/N=C1\CCc2ccccc21)(C(C)C)C(C)C.
What is the InChIKey of (E)-N-tri(propan-2-yl)silyloxy-2,3-dihydroinden-1-imine?
The InChIKey is IVQRPUFQOBUFPG-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H29NOSi/c1-13(2)21(14(3)4,15(5)6)20-19-18-12-11-16-9-7-8-10-17(16)18/h7-10,13-15H,11-12H2,1-6H3/b19-18+.
What are the key properties of (E)-N-tri(propan-2-yl)silyloxy-2,3-dihydroinden-1-imine?
(E)-N-tri(propan-2-yl)silyloxy-2,3-dihydroinden-1-imine has a molecular weight of 303.52 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tri(propan-2-yl)silyloxy-2,3-dihydroinden-1-imine is sourced from PubChem (CID 11652410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).