2-[2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-5-hydroxycyclopent-2-en-1-yl]acetic acid

C22H42O4Si — CID 19836014

IUPAC2-[2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-5-hydroxycyclopent-2-en-1-yl]acetic acid
SMILESCCCCCC(C)(CCC1=CCC(O)C1CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O4Si/c1-8-9-10-14-22(5,26-27(6,7)21(2,3)4)15-13-17-11-12-19(23)18(17)16-20(24)25/h11,18-19,23H,8-10,12-16H2,1-7H3,(H,24,25)
InChIKeyGMBYCXUBLQUOLU-UHFFFAOYSA-N
MW398.66 g/mol
LogP5.91
Rot. Bonds11

About 2-[2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-5-hydroxycyclopent-2-en-1-yl]acetic acid

2-[2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-5-hydroxycyclopent-2-en-1-yl]acetic acid (PubChem CID 19836014) has the molecular formula C22H42O4Si and a molecular weight of 398.66 g/mol. Its IUPAC name is 2-[2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-5-hydroxycyclopent-2-en-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-5-hydroxycyclopent-2-en-1-yl]acetic acid
PubChem CID19836014
Molecular FormulaC22H42O4Si
Molecular Weight398.66 g/mol
Exact Mass398.29
IUPAC Name2-[2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-5-hydroxycyclopent-2-en-1-yl]acetic acid
SMILESCCCCCC(C)(CCC1=CCC(O)C1CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O4Si/c1-8-9-10-14-22(5,26-27(6,7)21(2,3)4)15-13-17-11-12-19(23)18(17)16-20(24)25/h11,18-19,23H,8-10,12-16H2,1-7H3,(H,24,25)
InChIKeyGMBYCXUBLQUOLU-UHFFFAOYSA-N
XLogP5.91
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.66
LogP ≤ 55.91
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-[2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-5-hydroxycyclopent-2-en-1-yl]acetic 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-[2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-5-hydroxycyclopent-2-en-1-yl]acetic acid?
The IUPAC name of 2-[2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-5-hydroxycyclopent-2-en-1-yl]acetic acid (CID 19836014) is 2-[2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-5-hydroxycyclopent-2-en-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-5-hydroxycyclopent-2-en-1-yl]acetic acid?
The canonical SMILES for 2-[2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-5-hydroxycyclopent-2-en-1-yl]acetic acid is CCCCCC(C)(CCC1=CCC(O)C1CC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-5-hydroxycyclopent-2-en-1-yl]acetic acid?
The InChIKey is GMBYCXUBLQUOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O4Si/c1-8-9-10-14-22(5,26-27(6,7)21(2,3)4)15-13-17-11-12-19(23)18(17)16-20(24)25/h11,18-19,23H,8-10,12-16H2,1-7H3,(H,24,25).
What are the key properties of 2-[2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-5-hydroxycyclopent-2-en-1-yl]acetic acid?
2-[2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-5-hydroxycyclopent-2-en-1-yl]acetic acid has a molecular weight of 398.66 g/mol, XLogP of 5.91, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-5-hydroxycyclopent-2-en-1-yl]acetic acid is sourced from PubChem (CID 19836014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).