methyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-oxocyclopentyl]acetate

C15H28O5Si — CID 71814523

IUPACmethyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-oxocyclopentyl]acetate
SMILESCOC(=O)CC1(OC)C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C15H28O5Si/c1-14(2,3)21(6,7)20-11-8-12(16)15(9-11,19-5)10-13(17)18-4/h11H,8-10H2,1-7H3/t11-,15?/m1/s1
InChIKeyFZLVXKAKMPMECO-ZRKZCGFPSA-N
MW316.47 g/mol
LogP2.69
Rot. Bonds5

About methyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-oxocyclopentyl]acetate

methyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-oxocyclopentyl]acetate (PubChem CID 71814523) has the molecular formula C15H28O5Si and a molecular weight of 316.47 g/mol. Its IUPAC name is methyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-oxocyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-oxocyclopentyl]acetate
PubChem CID71814523
Molecular FormulaC15H28O5Si
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Namemethyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-oxocyclopentyl]acetate
SMILESCOC(=O)CC1(OC)C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C15H28O5Si/c1-14(2,3)21(6,7)20-11-8-12(16)15(9-11,19-5)10-13(17)18-4/h11H,8-10H2,1-7H3/t11-,15?/m1/s1
InChIKeyFZLVXKAKMPMECO-ZRKZCGFPSA-N
XLogP2.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.69
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 methyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-oxocyclopentyl]acetate?
The IUPAC name of methyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-oxocyclopentyl]acetate (CID 71814523) is methyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-oxocyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-oxocyclopentyl]acetate?
The canonical SMILES for methyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-oxocyclopentyl]acetate is COC(=O)CC1(OC)C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of methyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-oxocyclopentyl]acetate?
The InChIKey is FZLVXKAKMPMECO-ZRKZCGFPSA-N. The full InChI is InChI=1S/C15H28O5Si/c1-14(2,3)21(6,7)20-11-8-12(16)15(9-11,19-5)10-13(17)18-4/h11H,8-10H2,1-7H3/t11-,15?/m1/s1.
What are the key properties of methyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-oxocyclopentyl]acetate?
methyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-oxocyclopentyl]acetate has a molecular weight of 316.47 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-oxocyclopentyl]acetate is sourced from PubChem (CID 71814523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).