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

C12H22O4Si — CID 141493039

IUPAC(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(C(=O)O)[C@H](O)C1
InChIInChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)16-8-6-9(11(14)15)10(13)7-8/h6,8,10,13H,7H2,1-5H3,(H,14,15)/t8-,10-/m1/s1
InChIKeyOGRUXUCCBMXYRG-PSASIEDQSA-N
MW258.39 g/mol
LogP2.15
Rot. Bonds3

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

(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylic acid (PubChem CID 141493039) has the molecular formula C12H22O4Si and a molecular weight of 258.39 g/mol. Its IUPAC name is (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylic acid
PubChem CID141493039
Molecular FormulaC12H22O4Si
Molecular Weight258.39 g/mol
Exact Mass258.13
IUPAC Name(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(C(=O)O)[C@H](O)C1
InChIInChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)16-8-6-9(11(14)15)10(13)7-8/h6,8,10,13H,7H2,1-5H3,(H,14,15)/t8-,10-/m1/s1
InChIKeyOGRUXUCCBMXYRG-PSASIEDQSA-N
XLogP2.15
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylate
CID 68838635
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylate
CID 77561575
(4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-one;(4S)-4-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one
CID 158781533
(4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-one
CID 158781534
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-one;4-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one
CID 158781535
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-one
CID 158781536
4-[Tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopent-2-en-1-one
CID 172555804
(7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-2-enedioic acid
CID 173187361
(7S)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-2-enedioic acid
CID 173187421
(2S)-4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutyl]-2-methyl-2H-furan-5-one
CID 10990246
(4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxycyclopent-2-en-1-one
CID 11807306
(2S)-4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutyl]-2-methyl-2H-furan-5-one
CID 11833517

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylic acid?
The IUPAC name of (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylic acid (CID 141493039) is (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylic acid.
What is the SMILES notation for (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylic acid?
The canonical SMILES for (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylic acid is CC(C)(C)[Si](C)(C)O[C@@H]1C=C(C(=O)O)[C@H](O)C1.
What is the InChIKey of (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylic acid?
The InChIKey is OGRUXUCCBMXYRG-PSASIEDQSA-N. The full InChI is InChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)16-8-6-9(11(14)15)10(13)7-8/h6,8,10,13H,7H2,1-5H3,(H,14,15)/t8-,10-/m1/s1.
What are the key properties of (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylic acid?
(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylic acid has a molecular weight of 258.39 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylic acid is sourced from PubChem (CID 141493039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).