1-[5-acetamido-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylhexyl]cyclopentane-1-carboxylic acid

C32H47NO4Si — CID 70027224

IUPAC1-[5-acetamido-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylhexyl]cyclopentane-1-carboxylic acid
SMILESCC(=O)NC(C)C(C)C(CCC1(C(=O)O)CCCC1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H47NO4Si/c1-24(25(2)33-26(3)34)27(19-22-32(30(35)36)20-13-14-21-32)23-37-38(31(4,5)6,28-15-9-7-10-16-28)29-17-11-8-12-18-29/h7-12,15-18,24-25,27H,13-14,19-23H2,1-6H3,(H,33,34)(H,35,36)
InChIKeyMHQGCQTVIOFKCW-UHFFFAOYSA-N
MW537.82 g/mol
LogP5.77
Rot. Bonds12

About 1-[5-acetamido-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylhexyl]cyclopentane-1-carboxylic acid

1-[5-acetamido-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylhexyl]cyclopentane-1-carboxylic acid (PubChem CID 70027224) has the molecular formula C32H47NO4Si and a molecular weight of 537.82 g/mol. Its IUPAC name is 1-[5-acetamido-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylhexyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-acetamido-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylhexyl]cyclopentane-1-carboxylic acid
PubChem CID70027224
Molecular FormulaC32H47NO4Si
Molecular Weight537.82 g/mol
Exact Mass537.33
IUPAC Name1-[5-acetamido-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylhexyl]cyclopentane-1-carboxylic acid
SMILESCC(=O)NC(C)C(C)C(CCC1(C(=O)O)CCCC1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H47NO4Si/c1-24(25(2)33-26(3)34)27(19-22-32(30(35)36)20-13-14-21-32)23-37-38(31(4,5)6,28-15-9-7-10-16-28)29-17-11-8-12-18-29/h7-12,15-18,24-25,27H,13-14,19-23H2,1-6H3,(H,33,34)(H,35,36)
InChIKeyMHQGCQTVIOFKCW-UHFFFAOYSA-N
XLogP5.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.82
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102238795
methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methylpentanoate
CID 11553115
[(2S,3S,7R)-8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-2-yl] acetate
CID 10789919
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
1-[4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]cyclopropan-1-ol
CID 123510913
5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid
CID 22100308
[(2S,3S)-3-acetyloxy-1-[tert-butyl(diphenyl)silyl]oxy-4-oxopentan-2-yl] acetate
CID 10072767
benzhydryl 1-[5-acetamido-3-(1H-imidazol-2-yl)-4-methylhexyl]cyclopentane-1-carboxylate
CID 139919209
3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid
CID 86196394
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
methyl (2S,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptanoate
CID 102512037
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095

Frequently Asked Questions

What is the IUPAC name of 1-[5-acetamido-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylhexyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[5-acetamido-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylhexyl]cyclopentane-1-carboxylic acid (CID 70027224) is 1-[5-acetamido-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylhexyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[5-acetamido-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylhexyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[5-acetamido-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylhexyl]cyclopentane-1-carboxylic acid is CC(=O)NC(C)C(C)C(CCC1(C(=O)O)CCCC1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-[5-acetamido-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylhexyl]cyclopentane-1-carboxylic acid?
The InChIKey is MHQGCQTVIOFKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47NO4Si/c1-24(25(2)33-26(3)34)27(19-22-32(30(35)36)20-13-14-21-32)23-37-38(31(4,5)6,28-15-9-7-10-16-28)29-17-11-8-12-18-29/h7-12,15-18,24-25,27H,13-14,19-23H2,1-6H3,(H,33,34)(H,35,36).
What are the key properties of 1-[5-acetamido-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylhexyl]cyclopentane-1-carboxylic acid?
1-[5-acetamido-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylhexyl]cyclopentane-1-carboxylic acid has a molecular weight of 537.82 g/mol, XLogP of 5.77, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-acetamido-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylhexyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 70027224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).