trans-2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxycyclopentane-1,2-dicarboxylate

C21H42O5Si2 — CID 59619369

IUPACtrans-2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxycyclopentane-1,2-dicarboxylate
SMILESCCOC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O5Si2/c1-12-24-18(22)16-13-15(25-27(8,9)20(2,3)4)14-17(16)19(23)26-28(10,11)21(5,6)7/h15-17H,12-14H2,1-11H3/t15?,16-,17-/m1/s1
InChIKeyQQNSMEANHRHMNL-YJEKIOLLSA-N
MW430.73 g/mol
LogP5.51
Rot. Bonds6

About trans-2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxycyclopentane-1,2-dicarboxylate

trans-2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxycyclopentane-1,2-dicarboxylate (PubChem CID 59619369) has the molecular formula C21H42O5Si2 and a molecular weight of 430.73 g/mol. Its IUPAC name is trans-2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxycyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Nametrans-2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxycyclopentane-1,2-dicarboxylate
PubChem CID59619369
Molecular FormulaC21H42O5Si2
Molecular Weight430.73 g/mol
Exact Mass430.26
IUPAC Nametrans-2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxycyclopentane-1,2-dicarboxylate
SMILESCCOC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O5Si2/c1-12-24-18(22)16-13-15(25-27(8,9)20(2,3)4)14-17(16)19(23)26-28(10,11)21(5,6)7/h15-17H,12-14H2,1-11H3/t15?,16-,17-/m1/s1
InChIKeyQQNSMEANHRHMNL-YJEKIOLLSA-N
XLogP5.51
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.73
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxycyclopentane-1,2-dicarboxylate?
The IUPAC name of trans-2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxycyclopentane-1,2-dicarboxylate (CID 59619369) is trans-2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxycyclopentane-1,2-dicarboxylate.
What is the SMILES notation for trans-2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxycyclopentane-1,2-dicarboxylate?
The canonical SMILES for trans-2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxycyclopentane-1,2-dicarboxylate is CCOC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of trans-2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxycyclopentane-1,2-dicarboxylate?
The InChIKey is QQNSMEANHRHMNL-YJEKIOLLSA-N. The full InChI is InChI=1S/C21H42O5Si2/c1-12-24-18(22)16-13-15(25-27(8,9)20(2,3)4)14-17(16)19(23)26-28(10,11)21(5,6)7/h15-17H,12-14H2,1-11H3/t15?,16-,17-/m1/s1.
What are the key properties of trans-2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxycyclopentane-1,2-dicarboxylate?
trans-2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxycyclopentane-1,2-dicarboxylate has a molecular weight of 430.73 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxycyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 59619369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).