methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylate

C13H24O4Si — CID 68838635

IUPACmethyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylate
SMILESCOC(=O)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O
InChIInChI=1S/C13H24O4Si/c1-13(2,3)18(5,6)17-9-7-10(11(14)8-9)12(15)16-4/h7,9,11,14H,8H2,1-6H3/t9-,11-/m1/s1
InChIKeySOQWIDXUAMJOGG-MWLCHTKSSA-N
MW272.42 g/mol
LogP2.24
Rot. Bonds3

About methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylate

methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylate (PubChem CID 68838635) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylate
PubChem CID68838635
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Namemethyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylate
SMILESCOC(=O)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O
InChIInChI=1S/C13H24O4Si/c1-13(2,3)18(5,6)17-9-7-10(11(14)8-9)12(15)16-4/h7,9,11,14H,8H2,1-6H3/t9-,11-/m1/s1
InChIKeySOQWIDXUAMJOGG-MWLCHTKSSA-N
XLogP2.24
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopentene-1-carboxylate
CID 10754540
Methyl 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carboxylate
CID 10978087
methyl (3S,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4,6-trihydroxycyclohexene-1-carboxylate
CID 11244068
methyl (3R,4R,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydroxycyclohexene-1-carboxylate
CID 11419081
methyl (3R,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxycyclohexene-1-carboxylate
CID 13990583
6-Hydroxy-3-methoxycarbonylhept-2-enoic acid
CID 53951242
dimethyl (Z)-2-[(1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxyhexyl]but-2-enedioate
CID 58409695
dimethyl (Z)-2-[(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxyhexyl]but-2-enedioate
CID 58409705
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylate
CID 77561575
Dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxydecyl]but-2-enedioate
CID 86657189
dimethyl (Z)-2-[(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxydecyl]but-2-enedioate
CID 87261833
dimethyl (E)-2-[(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxydecyl]but-2-enedioate
CID 87261834

Frequently Asked Questions

What is the IUPAC name of methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylate?
The IUPAC name of methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylate (CID 68838635) is methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylate.
What is the SMILES notation for methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylate?
The canonical SMILES for methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylate is COC(=O)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O.
What is the InChIKey of methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylate?
The InChIKey is SOQWIDXUAMJOGG-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-13(2,3)18(5,6)17-9-7-10(11(14)8-9)12(15)16-4/h7,9,11,14H,8H2,1-6H3/t9-,11-/m1/s1.
What are the key properties of methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylate?
methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylate has a molecular weight of 272.42 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylate is sourced from PubChem (CID 68838635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).