2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid

C23H30O3Si — CID 68922385

IUPAC2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid
SMILESCC(C)(C)[Si](O[C@H]1CCC[C@H]1CC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O3Si/c1-23(2,3)27(19-12-6-4-7-13-19,20-14-8-5-9-15-20)26-21-16-10-11-18(21)17-22(24)25/h4-9,12-15,18,21H,10-11,16-17H2,1-3H3,(H,24,25)/t18-,21-/m0/s1
InChIKeyAQBYWBKSDFULPT-RXVVDRJESA-N
MW382.58 g/mol
LogP4.21
Rot. Bonds6

About 2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid

2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid (PubChem CID 68922385) has the molecular formula C23H30O3Si and a molecular weight of 382.58 g/mol. Its IUPAC name is 2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid
PubChem CID68922385
Molecular FormulaC23H30O3Si
Molecular Weight382.58 g/mol
Exact Mass382.20
IUPAC Name2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid
SMILESCC(C)(C)[Si](O[C@H]1CCC[C@H]1CC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O3Si/c1-23(2,3)27(19-12-6-4-7-13-19,20-14-8-5-9-15-20)26-21-16-10-11-18(21)17-22(24)25/h4-9,12-15,18,21H,10-11,16-17H2,1-3H3,(H,24,25)/t18-,21-/m0/s1
InChIKeyAQBYWBKSDFULPT-RXVVDRJESA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920543
2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920538
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
CID 177365841
2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde
CID 171085570
4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]butanoic acid
CID 69240889
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316
cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
CID 58018792
2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde
CID 86594888
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 170904665
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 153312960
tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane
CID 11462313
tert-butyl-(3-butylcyclohexyl)oxy-diphenylsilane
CID 58800360

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid?
The IUPAC name of 2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid (CID 68922385) is 2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid?
The canonical SMILES for 2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid is CC(C)(C)[Si](O[C@H]1CCC[C@H]1CC(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid?
The InChIKey is AQBYWBKSDFULPT-RXVVDRJESA-N. The full InChI is InChI=1S/C23H30O3Si/c1-23(2,3)27(19-12-6-4-7-13-19,20-14-8-5-9-15-20)26-21-16-10-11-18(21)17-22(24)25/h4-9,12-15,18,21H,10-11,16-17H2,1-3H3,(H,24,25)/t18-,21-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid?
2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid has a molecular weight of 382.58 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid is sourced from PubChem (CID 68922385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).