2-[(1S,2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]acetic acid

C13H26O4Si — CID 22796803

IUPAC2-[(1S,2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]acetic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](CC(=O)O)[C@@H](O)C1
InChIInChI=1S/C13H26O4Si/c1-13(2,3)18(4,5)17-10-6-9(7-12(15)16)11(14)8-10/h9-11,14H,6-8H2,1-5H3,(H,15,16)/t9-,10-,11-/m0/s1
InChIKeyRNPWSZLJNYVZHD-DCAQKATOSA-N
MW274.43 g/mol
LogP2.62
Rot. Bonds4

About 2-[(1S,2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]acetic acid

2-[(1S,2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]acetic acid (PubChem CID 22796803) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-[(1S,2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]acetic acid
PubChem CID22796803
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name2-[(1S,2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]acetic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](CC(=O)O)[C@@H](O)C1
InChIInChI=1S/C13H26O4Si/c1-13(2,3)18(4,5)17-10-6-9(7-12(15)16)11(14)8-10/h9-11,14H,6-8H2,1-5H3,(H,15,16)/t9-,10-,11-/m0/s1
InChIKeyRNPWSZLJNYVZHD-DCAQKATOSA-N
XLogP2.62
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(1S,2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]acetic acid?
The IUPAC name of 2-[(1S,2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]acetic acid (CID 22796803) is 2-[(1S,2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1S,2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]acetic acid?
The canonical SMILES for 2-[(1S,2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]acetic acid is CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](CC(=O)O)[C@@H](O)C1.
What is the InChIKey of 2-[(1S,2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]acetic acid?
The InChIKey is RNPWSZLJNYVZHD-DCAQKATOSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-13(2,3)18(4,5)17-10-6-9(7-12(15)16)11(14)8-10/h9-11,14H,6-8H2,1-5H3,(H,15,16)/t9-,10-,11-/m0/s1.
What are the key properties of 2-[(1S,2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]acetic acid?
2-[(1S,2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]acetic acid has a molecular weight of 274.43 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]acetic acid is sourced from PubChem (CID 22796803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).