trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid

C23H30O3Si — CID 170904665

IUPACtrans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
SMILESCC1CC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1C(=O)O
InChIInChI=1S/C23H30O3Si/c1-17-15-16-20(21(17)22(24)25)26-27(23(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20-21H,15-16H2,1-4H3,(H,24,25)/t17?,20-,21-/m1/s1
InChIKeyNXKBPGHOLFFJMU-LTGQRPFBSA-N
MW382.58 g/mol
LogP4.06
Rot. Bonds5

About trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid

trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid (PubChem CID 170904665) has the molecular formula C23H30O3Si and a molecular weight of 382.58 g/mol. Its IUPAC name is trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
PubChem CID170904665
Molecular FormulaC23H30O3Si
Molecular Weight382.58 g/mol
Exact Mass382.20
IUPAC Nametrans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
SMILESCC1CC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1C(=O)O
InChIInChI=1S/C23H30O3Si/c1-17-15-16-20(21(17)22(24)25)26-27(23(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20-21H,15-16H2,1-4H3,(H,24,25)/t17?,20-,21-/m1/s1
InChIKeyNXKBPGHOLFFJMU-LTGQRPFBSA-N
XLogP4.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.58
LogP ≤ 54.06
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

(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 153312960
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
CID 177365841
tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane
CID 158022147
(1R,3R,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-1,4-dimethylcyclohexane-1-carboxylic acid
CID 67319834
methyl (1S,3R,4R,5S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methylbicyclo[3.1.0]hexane-1-carboxylate
CID 11625671
3-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 85218514
2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920543
2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid
CID 68922385
2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920538
1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone
CID 129323384
2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde
CID 171085570
(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid
CID 102031533

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid (CID 170904665) is trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid is CC1CC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1C(=O)O.
What is the InChIKey of trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid?
The InChIKey is NXKBPGHOLFFJMU-LTGQRPFBSA-N. The full InChI is InChI=1S/C23H30O3Si/c1-17-15-16-20(21(17)22(24)25)26-27(23(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20-21H,15-16H2,1-4H3,(H,24,25)/t17?,20-,21-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid?
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid has a molecular weight of 382.58 g/mol, XLogP of 4.06, 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]oxy-5-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 170904665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).