2-[(1R,2S)-2-tert-butyl-1-diphenylsilyloxycyclopentyl]acetic acid

C23H30O3Si — CID 173122469

IUPAC2-[(1R,2S)-2-tert-butyl-1-diphenylsilyloxycyclopentyl]acetic acid
SMILESCC(C)(C)[C@@H]1CCC[C@]1(CC(=O)O)O[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O3Si/c1-22(2,3)20-15-10-16-23(20,17-21(24)25)26-27(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20,27H,10,15-17H2,1-3H3,(H,24,25)/t20-,23+/m0/s1
InChIKeyGUADXAKSTOMMKK-NZQKXSOJSA-N
MW382.58 g/mol
LogP3.60
Rot. Bonds6

About 2-[(1R,2S)-2-tert-butyl-1-diphenylsilyloxycyclopentyl]acetic acid

2-[(1R,2S)-2-tert-butyl-1-diphenylsilyloxycyclopentyl]acetic acid (PubChem CID 173122469) has the molecular formula C23H30O3Si and a molecular weight of 382.58 g/mol. Its IUPAC name is 2-[(1R,2S)-2-tert-butyl-1-diphenylsilyloxycyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2S)-2-tert-butyl-1-diphenylsilyloxycyclopentyl]acetic acid
PubChem CID173122469
Molecular FormulaC23H30O3Si
Molecular Weight382.58 g/mol
Exact Mass382.20
IUPAC Name2-[(1R,2S)-2-tert-butyl-1-diphenylsilyloxycyclopentyl]acetic acid
SMILESCC(C)(C)[C@@H]1CCC[C@]1(CC(=O)O)O[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O3Si/c1-22(2,3)20-15-10-16-23(20,17-21(24)25)26-27(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20,27H,10,15-17H2,1-3H3,(H,24,25)/t20-,23+/m0/s1
InChIKeyGUADXAKSTOMMKK-NZQKXSOJSA-N
XLogP3.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.58
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-2-tert-butyl-1-diphenylsilyloxycyclopentyl]acetic acid?
The IUPAC name of 2-[(1R,2S)-2-tert-butyl-1-diphenylsilyloxycyclopentyl]acetic acid (CID 173122469) is 2-[(1R,2S)-2-tert-butyl-1-diphenylsilyloxycyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1R,2S)-2-tert-butyl-1-diphenylsilyloxycyclopentyl]acetic acid?
The canonical SMILES for 2-[(1R,2S)-2-tert-butyl-1-diphenylsilyloxycyclopentyl]acetic acid is CC(C)(C)[C@@H]1CCC[C@]1(CC(=O)O)O[SiH](c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(1R,2S)-2-tert-butyl-1-diphenylsilyloxycyclopentyl]acetic acid?
The InChIKey is GUADXAKSTOMMKK-NZQKXSOJSA-N. The full InChI is InChI=1S/C23H30O3Si/c1-22(2,3)20-15-10-16-23(20,17-21(24)25)26-27(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20,27H,10,15-17H2,1-3H3,(H,24,25)/t20-,23+/m0/s1.
What are the key properties of 2-[(1R,2S)-2-tert-butyl-1-diphenylsilyloxycyclopentyl]acetic acid?
2-[(1R,2S)-2-tert-butyl-1-diphenylsilyloxycyclopentyl]acetic acid has a molecular weight of 382.58 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-tert-butyl-1-diphenylsilyloxycyclopentyl]acetic acid is sourced from PubChem (CID 173122469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).