trans-ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate

C15H30O5Si — CID 134832405

IUPACtrans-ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(O)C1(C)O
InChIInChI=1S/C15H30O5Si/c1-8-19-13(17)10-9-11(12(16)15(10,5)18)20-21(6,7)14(2,3)4/h10-12,16,18H,8-9H2,1-7H3/t10-,11-,12?,15?/m1/s1
InChIKeyUEADSXJRXJEBBB-GNSQRIDDSA-N
MW318.49 g/mol
LogP2.07
Rot. Bonds4

About trans-ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate

trans-ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate (PubChem CID 134832405) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is trans-ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate
PubChem CID134832405
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Nametrans-ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(O)C1(C)O
InChIInChI=1S/C15H30O5Si/c1-8-19-13(17)10-9-11(12(16)15(10,5)18)20-21(6,7)14(2,3)4/h10-12,16,18H,8-9H2,1-7H3/t10-,11-,12?,15?/m1/s1
InChIKeyUEADSXJRXJEBBB-GNSQRIDDSA-N
XLogP2.07
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.07
H-Bond Donors ≤ 52
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-ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate?
The IUPAC name of trans-ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate (CID 134832405) is trans-ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate?
The canonical SMILES for trans-ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate is CCOC(=O)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(O)C1(C)O.
What is the InChIKey of trans-ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate?
The InChIKey is UEADSXJRXJEBBB-GNSQRIDDSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-8-19-13(17)10-9-11(12(16)15(10,5)18)20-21(6,7)14(2,3)4/h10-12,16,18H,8-9H2,1-7H3/t10-,11-,12?,15?/m1/s1.
What are the key properties of trans-ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate?
trans-ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate has a molecular weight of 318.49 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 134832405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).