(1-methoxy-2-phenyl-1-trimethylsilyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl)oxy-trimethylsilane

C20H35NO3Si2 — CID 101400716

IUPAC(1-methoxy-2-phenyl-1-trimethylsilyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl)oxy-trimethylsilane
SMILESCOC1(O[Si](C)(C)C)C2CCCN2CC1(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C20H35NO3Si2/c1-22-20(24-26(5,6)7)18-14-11-15-21(18)16-19(20,23-25(2,3)4)17-12-9-8-10-13-17/h8-10,12-13,18H,11,14-16H2,1-7H3
InChIKeyKMVFJQPWCNPUEF-UHFFFAOYSA-N
MW393.68 g/mol
LogP4.41
Rot. Bonds6

About (1-methoxy-2-phenyl-1-trimethylsilyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl)oxy-trimethylsilane

(1-methoxy-2-phenyl-1-trimethylsilyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl)oxy-trimethylsilane (PubChem CID 101400716) has the molecular formula C20H35NO3Si2 and a molecular weight of 393.68 g/mol. Its IUPAC name is (1-methoxy-2-phenyl-1-trimethylsilyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(1-methoxy-2-phenyl-1-trimethylsilyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl)oxy-trimethylsilane
PubChem CID101400716
Molecular FormulaC20H35NO3Si2
Molecular Weight393.68 g/mol
Exact Mass393.22
IUPAC Name(1-methoxy-2-phenyl-1-trimethylsilyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl)oxy-trimethylsilane
SMILESCOC1(O[Si](C)(C)C)C2CCCN2CC1(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C20H35NO3Si2/c1-22-20(24-26(5,6)7)18-14-11-15-21(18)16-19(20,23-25(2,3)4)17-12-9-8-10-13-17/h8-10,12-13,18H,11,14-16H2,1-7H3
InChIKeyKMVFJQPWCNPUEF-UHFFFAOYSA-N
XLogP4.41
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.68
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-methoxy-2-phenyl-1-trimethylsilyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl)oxy-trimethylsilane?
The IUPAC name of (1-methoxy-2-phenyl-1-trimethylsilyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl)oxy-trimethylsilane (CID 101400716) is (1-methoxy-2-phenyl-1-trimethylsilyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl)oxy-trimethylsilane.
What is the SMILES notation for (1-methoxy-2-phenyl-1-trimethylsilyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl)oxy-trimethylsilane?
The canonical SMILES for (1-methoxy-2-phenyl-1-trimethylsilyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl)oxy-trimethylsilane is COC1(O[Si](C)(C)C)C2CCCN2CC1(O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of (1-methoxy-2-phenyl-1-trimethylsilyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl)oxy-trimethylsilane?
The InChIKey is KMVFJQPWCNPUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3Si2/c1-22-20(24-26(5,6)7)18-14-11-15-21(18)16-19(20,23-25(2,3)4)17-12-9-8-10-13-17/h8-10,12-13,18H,11,14-16H2,1-7H3.
What are the key properties of (1-methoxy-2-phenyl-1-trimethylsilyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl)oxy-trimethylsilane?
(1-methoxy-2-phenyl-1-trimethylsilyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl)oxy-trimethylsilane has a molecular weight of 393.68 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-2-phenyl-1-trimethylsilyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl)oxy-trimethylsilane is sourced from PubChem (CID 101400716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).