2-[(1R,2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(carboxymethyl)-3-oxocyclopentyl]acetic acid

C15H26O6Si — CID 11566131

IUPAC2-[(1R,2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(carboxymethyl)-3-oxocyclopentyl]acetic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)[C@@H](CC(=O)O)[C@H]1CC(=O)O
InChIInChI=1S/C15H26O6Si/c1-15(2,3)22(4,5)21-12-8-11(16)9(6-13(17)18)10(12)7-14(19)20/h9-10,12H,6-8H2,1-5H3,(H,17,18)(H,19,20)/t9-,10+,12-/m0/s1
InChIKeyXOYYAWBSLOMGLV-UMNHJUIQSA-N
MW330.45 g/mol
LogP2.53
Rot. Bonds6

About 2-[(1R,2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(carboxymethyl)-3-oxocyclopentyl]acetic acid

2-[(1R,2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(carboxymethyl)-3-oxocyclopentyl]acetic acid (PubChem CID 11566131) has the molecular formula C15H26O6Si and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-[(1R,2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(carboxymethyl)-3-oxocyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(carboxymethyl)-3-oxocyclopentyl]acetic acid
PubChem CID11566131
Molecular FormulaC15H26O6Si
Molecular Weight330.45 g/mol
Exact Mass330.15
IUPAC Name2-[(1R,2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(carboxymethyl)-3-oxocyclopentyl]acetic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)[C@@H](CC(=O)O)[C@H]1CC(=O)O
InChIInChI=1S/C15H26O6Si/c1-15(2,3)22(4,5)21-12-8-11(16)9(6-13(17)18)10(12)7-14(19)20/h9-10,12H,6-8H2,1-5H3,(H,17,18)(H,19,20)/t9-,10+,12-/m0/s1
InChIKeyXOYYAWBSLOMGLV-UMNHJUIQSA-N
XLogP2.53
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
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 2-[(1R,2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(carboxymethyl)-3-oxocyclopentyl]acetic acid?
The IUPAC name of 2-[(1R,2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(carboxymethyl)-3-oxocyclopentyl]acetic acid (CID 11566131) is 2-[(1R,2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(carboxymethyl)-3-oxocyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1R,2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(carboxymethyl)-3-oxocyclopentyl]acetic acid?
The canonical SMILES for 2-[(1R,2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(carboxymethyl)-3-oxocyclopentyl]acetic acid is CC(C)(C)[Si](C)(C)O[C@H]1CC(=O)[C@@H](CC(=O)O)[C@H]1CC(=O)O.
What is the InChIKey of 2-[(1R,2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(carboxymethyl)-3-oxocyclopentyl]acetic acid?
The InChIKey is XOYYAWBSLOMGLV-UMNHJUIQSA-N. The full InChI is InChI=1S/C15H26O6Si/c1-15(2,3)22(4,5)21-12-8-11(16)9(6-13(17)18)10(12)7-14(19)20/h9-10,12H,6-8H2,1-5H3,(H,17,18)(H,19,20)/t9-,10+,12-/m0/s1.
What are the key properties of 2-[(1R,2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(carboxymethyl)-3-oxocyclopentyl]acetic acid?
2-[(1R,2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(carboxymethyl)-3-oxocyclopentyl]acetic acid has a molecular weight of 330.45 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(carboxymethyl)-3-oxocyclopentyl]acetic acid is sourced from PubChem (CID 11566131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).