trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid

C22H28O3Si — CID 177365841

IUPACtrans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
SMILESCC(C)(C)[Si](O[C@@H]1CCC[C@H]1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O3Si/c1-22(2,3)26(17-11-6-4-7-12-17,18-13-8-5-9-14-18)25-20-16-10-15-19(20)21(23)24/h4-9,11-14,19-20H,10,15-16H2,1-3H3,(H,23,24)/t19-,20-/m1/s1
InChIKeyZTIXXDMEQOQKMB-WOJBJXKFSA-N
MW368.55 g/mol
LogP3.82
Rot. Bonds5

About trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid

trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid (PubChem CID 177365841) has the molecular formula C22H28O3Si and a molecular weight of 368.55 g/mol. Its IUPAC name is trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
PubChem CID177365841
Molecular FormulaC22H28O3Si
Molecular Weight368.55 g/mol
Exact Mass368.18
IUPAC Nametrans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
SMILESCC(C)(C)[Si](O[C@@H]1CCC[C@H]1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O3Si/c1-22(2,3)26(17-11-6-4-7-12-17,18-13-8-5-9-14-18)25-20-16-10-15-19(20)21(23)24/h4-9,11-14,19-20H,10,15-16H2,1-3H3,(H,23,24)/t19-,20-/m1/s1
InChIKeyZTIXXDMEQOQKMB-WOJBJXKFSA-N
XLogP3.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.82
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]oxycyclopentyl]-2-oxoacetaldehyde
CID 171085570
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
2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid
CID 68922385
tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane
CID 11462313
2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920543
2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920538
cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
CID 58018792
2-[(2R,3S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-2-yl]ethanol
CID 101389307
(1R,3R,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-1,4-dimethylcyclohexane-1-carboxylic acid
CID 67319834
tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane
CID 158022147
3-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 85218514

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid (CID 177365841) is trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid is CC(C)(C)[Si](O[C@@H]1CCC[C@H]1C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid?
The InChIKey is ZTIXXDMEQOQKMB-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H28O3Si/c1-22(2,3)26(17-11-6-4-7-12-17,18-13-8-5-9-14-18)25-20-16-10-15-19(20)21(23)24/h4-9,11-14,19-20H,10,15-16H2,1-3H3,(H,23,24)/t19-,20-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid?
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid has a molecular weight of 368.55 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 177365841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).