2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexyl-7-[(1R,5S)-5-hydroxy-1-methyl-2-propylcyclopent-2-en-1-yl]heptanoic acid

C28H52O4Si — CID 57186194

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexyl-7-[(1R,5S)-5-hydroxy-1-methyl-2-propylcyclopent-2-en-1-yl]heptanoic acid
SMILESCCCC1=CC[C@H](O)[C@]1(C)CCCCCC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C1CCCCC1
InChIInChI=1S/C28H52O4Si/c1-8-15-22-18-19-24(29)27(22,5)20-13-10-14-21-28(25(30)31,23-16-11-9-12-17-23)32-33(6,7)26(2,3)4/h18,23-24,29H,8-17,19-21H2,1-7H3,(H,30,31)/t24-,27+,28?/m0/s1
InChIKeyXBGRUAKYYQIORP-LSSUXWNUSA-N
MW480.81 g/mol
LogP7.86
Rot. Bonds12

About 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexyl-7-[(1R,5S)-5-hydroxy-1-methyl-2-propylcyclopent-2-en-1-yl]heptanoic acid

2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexyl-7-[(1R,5S)-5-hydroxy-1-methyl-2-propylcyclopent-2-en-1-yl]heptanoic acid (PubChem CID 57186194) has the molecular formula C28H52O4Si and a molecular weight of 480.81 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexyl-7-[(1R,5S)-5-hydroxy-1-methyl-2-propylcyclopent-2-en-1-yl]heptanoic acid.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexyl-7-[(1R,5S)-5-hydroxy-1-methyl-2-propylcyclopent-2-en-1-yl]heptanoic acid
PubChem CID57186194
Molecular FormulaC28H52O4Si
Molecular Weight480.81 g/mol
Exact Mass480.36
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexyl-7-[(1R,5S)-5-hydroxy-1-methyl-2-propylcyclopent-2-en-1-yl]heptanoic acid
SMILESCCCC1=CC[C@H](O)[C@]1(C)CCCCCC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C1CCCCC1
InChIInChI=1S/C28H52O4Si/c1-8-15-22-18-19-24(29)27(22,5)20-13-10-14-21-28(25(30)31,23-16-11-9-12-17-23)32-33(6,7)26(2,3)4/h18,23-24,29H,8-17,19-21H2,1-7H3,(H,30,31)/t24-,27+,28?/m0/s1
InChIKeyXBGRUAKYYQIORP-LSSUXWNUSA-N
XLogP7.86
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.81
LogP ≤ 57.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexyl-7-[(1R,5S)-5-hydroxy-1-methyl-2-propylcyclopent-2-en-1-yl]heptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexyl-7-[(1R,5S)-5-hydroxy-1-methyl-2-propylcyclopent-2-en-1-yl]heptanoic acid?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexyl-7-[(1R,5S)-5-hydroxy-1-methyl-2-propylcyclopent-2-en-1-yl]heptanoic acid (CID 57186194) is 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexyl-7-[(1R,5S)-5-hydroxy-1-methyl-2-propylcyclopent-2-en-1-yl]heptanoic acid.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexyl-7-[(1R,5S)-5-hydroxy-1-methyl-2-propylcyclopent-2-en-1-yl]heptanoic acid?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexyl-7-[(1R,5S)-5-hydroxy-1-methyl-2-propylcyclopent-2-en-1-yl]heptanoic acid is CCCC1=CC[C@H](O)[C@]1(C)CCCCCC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexyl-7-[(1R,5S)-5-hydroxy-1-methyl-2-propylcyclopent-2-en-1-yl]heptanoic acid?
The InChIKey is XBGRUAKYYQIORP-LSSUXWNUSA-N. The full InChI is InChI=1S/C28H52O4Si/c1-8-15-22-18-19-24(29)27(22,5)20-13-10-14-21-28(25(30)31,23-16-11-9-12-17-23)32-33(6,7)26(2,3)4/h18,23-24,29H,8-17,19-21H2,1-7H3,(H,30,31)/t24-,27+,28?/m0/s1.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexyl-7-[(1R,5S)-5-hydroxy-1-methyl-2-propylcyclopent-2-en-1-yl]heptanoic acid?
2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexyl-7-[(1R,5S)-5-hydroxy-1-methyl-2-propylcyclopent-2-en-1-yl]heptanoic acid has a molecular weight of 480.81 g/mol, XLogP of 7.86, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexyl-7-[(1R,5S)-5-hydroxy-1-methyl-2-propylcyclopent-2-en-1-yl]heptanoic acid is sourced from PubChem (CID 57186194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).