trans-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methanidylcyclopentane-1-carboxylate;yttrium

C15H29O3SiY- — CID 59619268

IUPACtrans-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methanidylcyclopentane-1-carboxylate;yttrium
SMILES[CH2-][C@@H]1CC(O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)OCC.[Y]
InChIInChI=1S/C15H29O3Si.Y/c1-8-17-14(16)13-10-12(9-11(13)2)18-19(6,7)15(3,4)5;/h11-13H,2,8-10H2,1,3-7H3;/q-1;/t11-,12?,13-;/m1./s1
InChIKeyDLIOVADQOIDFIM-XSKJWUEESA-N
MW374.39 g/mol
LogP3.80
Rot. Bonds4

About trans-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methanidylcyclopentane-1-carboxylate;yttrium

trans-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methanidylcyclopentane-1-carboxylate;yttrium (PubChem CID 59619268) has the molecular formula C15H29O3SiY- and a molecular weight of 374.39 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methanidylcyclopentane-1-carboxylate;yttrium.

Molecular Properties

Compound Nametrans-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methanidylcyclopentane-1-carboxylate;yttrium
PubChem CID59619268
Molecular FormulaC15H29O3SiY-
Molecular Weight374.39 g/mol
Exact Mass374.09
IUPAC Nametrans-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methanidylcyclopentane-1-carboxylate;yttrium
SMILES[CH2-][C@@H]1CC(O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)OCC.[Y]
InChIInChI=1S/C15H29O3Si.Y/c1-8-17-14(16)13-10-12(9-11(13)2)18-19(6,7)15(3,4)5;/h11-13H,2,8-10H2,1,3-7H3;/q-1;/t11-,12?,13-;/m1./s1
InChIKeyDLIOVADQOIDFIM-XSKJWUEESA-N
XLogP3.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methanidylcyclopentane-1-carboxylate;yttrium?
The IUPAC name of trans-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methanidylcyclopentane-1-carboxylate;yttrium (CID 59619268) is trans-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methanidylcyclopentane-1-carboxylate;yttrium.
What is the SMILES notation for trans-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methanidylcyclopentane-1-carboxylate;yttrium?
The canonical SMILES for trans-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methanidylcyclopentane-1-carboxylate;yttrium is [CH2-][C@@H]1CC(O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)OCC.[Y].
What is the InChIKey of trans-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methanidylcyclopentane-1-carboxylate;yttrium?
The InChIKey is DLIOVADQOIDFIM-XSKJWUEESA-N. The full InChI is InChI=1S/C15H29O3Si.Y/c1-8-17-14(16)13-10-12(9-11(13)2)18-19(6,7)15(3,4)5;/h11-13H,2,8-10H2,1,3-7H3;/q-1;/t11-,12?,13-;/m1./s1.
What are the key properties of trans-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methanidylcyclopentane-1-carboxylate;yttrium?
trans-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methanidylcyclopentane-1-carboxylate;yttrium has a molecular weight of 374.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methanidylcyclopentane-1-carboxylate;yttrium is sourced from PubChem (CID 59619268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).