2-trimethylsilylethyl 2-[(2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]hept-2-enoate

C25H46O4Si — CID 67782322

IUPAC2-trimethylsilylethyl 2-[(2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]hept-2-enoate
SMILESCCCCC=C(C(=O)OCC[Si](C)(C)C)C1[C@H](O)CC[C@H]1C=CCCCCCCO
InChIInChI=1S/C25H46O4Si/c1-5-6-11-15-22(25(28)29-19-20-30(2,3)4)24-21(16-17-23(24)27)14-12-9-7-8-10-13-18-26/h12,14-15,21,23-24,26-27H,5-11,13,16-20H2,1-4H3/t21-,23-,24?/m1/s1
InChIKeyAVGPIWUJYJIEES-UMBAGBCYSA-N
MW438.73 g/mol
LogP5.87
Rot. Bonds15

About 2-trimethylsilylethyl 2-[(2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]hept-2-enoate

2-trimethylsilylethyl 2-[(2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]hept-2-enoate (PubChem CID 67782322) has the molecular formula C25H46O4Si and a molecular weight of 438.73 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-[(2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]hept-2-enoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-[(2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]hept-2-enoate
PubChem CID67782322
Molecular FormulaC25H46O4Si
Molecular Weight438.73 g/mol
Exact Mass438.32
IUPAC Name2-trimethylsilylethyl 2-[(2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]hept-2-enoate
SMILESCCCCC=C(C(=O)OCC[Si](C)(C)C)C1[C@H](O)CC[C@H]1C=CCCCCCCO
InChIInChI=1S/C25H46O4Si/c1-5-6-11-15-22(25(28)29-19-20-30(2,3)4)24-21(16-17-23(24)27)14-12-9-7-8-10-13-18-26/h12,14-15,21,23-24,26-27H,5-11,13,16-20H2,1-4H3/t21-,23-,24?/m1/s1
InChIKeyAVGPIWUJYJIEES-UMBAGBCYSA-N
XLogP5.87
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.73
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-trimethylsilylethyl 2-[(2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]hept-2-enoate 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-trimethylsilylethyl 2-[(2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]hept-2-enoate?
The IUPAC name of 2-trimethylsilylethyl 2-[(2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]hept-2-enoate (CID 67782322) is 2-trimethylsilylethyl 2-[(2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]hept-2-enoate.
What is the SMILES notation for 2-trimethylsilylethyl 2-[(2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]hept-2-enoate?
The canonical SMILES for 2-trimethylsilylethyl 2-[(2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]hept-2-enoate is CCCCC=C(C(=O)OCC[Si](C)(C)C)C1[C@H](O)CC[C@H]1C=CCCCCCCO.
What is the InChIKey of 2-trimethylsilylethyl 2-[(2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]hept-2-enoate?
The InChIKey is AVGPIWUJYJIEES-UMBAGBCYSA-N. The full InChI is InChI=1S/C25H46O4Si/c1-5-6-11-15-22(25(28)29-19-20-30(2,3)4)24-21(16-17-23(24)27)14-12-9-7-8-10-13-18-26/h12,14-15,21,23-24,26-27H,5-11,13,16-20H2,1-4H3/t21-,23-,24?/m1/s1.
What are the key properties of 2-trimethylsilylethyl 2-[(2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]hept-2-enoate?
2-trimethylsilylethyl 2-[(2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]hept-2-enoate has a molecular weight of 438.73 g/mol, XLogP of 5.87, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-[(2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]hept-2-enoate is sourced from PubChem (CID 67782322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).