cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentane-1-carboxylate

C15H30O4Si — CID 59619451

IUPACcis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)C[C@H]1CO
InChIInChI=1S/C15H30O4Si/c1-7-18-14(17)13-9-12(8-11(13)10-16)19-20(5,6)15(2,3)4/h11-13,16H,7-10H2,1-6H3/t11-,12?,13+/m0/s1
InChIKeyJKCNGPYPFZPXGF-IAMFDIQRSA-N
MW302.49 g/mol
LogP2.96
Rot. Bonds5

About cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentane-1-carboxylate

cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentane-1-carboxylate (PubChem CID 59619451) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentane-1-carboxylate
PubChem CID59619451
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Namecis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)C[C@H]1CO
InChIInChI=1S/C15H30O4Si/c1-7-18-14(17)13-9-12(8-11(13)10-16)19-20(5,6)15(2,3)4/h11-13,16H,7-10H2,1-6H3/t11-,12?,13+/m0/s1
InChIKeyJKCNGPYPFZPXGF-IAMFDIQRSA-N
XLogP2.96
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentane-1-carboxylate (CID 59619451) is cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentane-1-carboxylate is CCOC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)C[C@H]1CO.
What is the InChIKey of cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentane-1-carboxylate?
The InChIKey is JKCNGPYPFZPXGF-IAMFDIQRSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-7-18-14(17)13-9-12(8-11(13)10-16)19-20(5,6)15(2,3)4/h11-13,16H,7-10H2,1-6H3/t11-,12?,13+/m0/s1.
What are the key properties of cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentane-1-carboxylate?
cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentane-1-carboxylate has a molecular weight of 302.49 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 59619451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).