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

C15H30O5Si — CID 102392356

IUPACethyl (1S,2R,3S,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@H](O)[C@]1(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-MCYUEQNJSA-N
MW318.49 g/mol
LogP2.07
Rot. Bonds4

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

ethyl (1S,2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate (PubChem CID 102392356) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is ethyl (1S,2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S,2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate
PubChem CID102392356
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Nameethyl (1S,2R,3S,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@H](O)[C@]1(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-MCYUEQNJSA-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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Related Compounds

(3aR,4S,5R,6aS)-4-(Hydroxymethyl)-5-((triethylsilyl)oxy)hexahydro-2H-cyclopenta[b]furan-2-one
CID 16038579
(3aR,4S,5R,6aS)-4-(tert-Butyldimethylsilyloxy)methyl-5-hydroxy-hexahydro-2H-cyclopenta[b]furan-2-one
CID 10613232
trans-ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate
CID 134832405
tert-butyl 2-[(1S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopentyl]acetate
CID 21600989
tert-butyl 2-[(1R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopentyl]acetate
CID 21600990
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 12770859
2-[(1S,2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]acetic acid
CID 22796803
2-[(1S,2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dihydroxycyclopentyl]acetic acid
CID 22821530
(3aR,4R,5R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 57024541
(1R,2R)-4-(tert-Butyl-dimethyl-silanyloxy)-cyclopentane-1,2-dicarboxylic acid monoethyl ester
CID 59619299
(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid
CID 59619426
(1R,2R)-4-(tert-Butyl-dimethyl-silanyloxy)-2-hydroxymethyl-cyclopentanecarboxylic acid ethyl ester
CID 59619451

Frequently Asked Questions

What is the IUPAC name of ethyl (1S,2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate?
The IUPAC name of ethyl (1S,2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate (CID 102392356) is ethyl (1S,2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (1S,2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl (1S,2R,3S,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@H](O)[C@]1(C)O.
What is the InChIKey of ethyl (1S,2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate?
The InChIKey is UEADSXJRXJEBBB-MCYUEQNJSA-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 ethyl (1S,2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate?
ethyl (1S,2R,3S,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 ethyl (1S,2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 102392356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).