(16R)-16-[tert-butyl(dimethyl)silyl]oxyicosa-5,14-diyn-1-ol

C26H48O2Si — CID 87979847

IUPAC(16R)-16-[tert-butyl(dimethyl)silyl]oxyicosa-5,14-diyn-1-ol
SMILESCCCC[C@H](C#CCCCCCCCC#CCCCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48O2Si/c1-7-8-22-25(28-29(5,6)26(2,3)4)23-20-18-16-14-12-10-9-11-13-15-17-19-21-24-27/h25,27H,7-12,14,16-19,21-22,24H2,1-6H3/t25-/m1/s1
InChIKeyMGTQHSGLMWGHSE-RUZDIDTESA-N
MW420.75 g/mol
LogP7.47
Rot. Bonds14

About (16R)-16-[tert-butyl(dimethyl)silyl]oxyicosa-5,14-diyn-1-ol

(16R)-16-[tert-butyl(dimethyl)silyl]oxyicosa-5,14-diyn-1-ol (PubChem CID 87979847) has the molecular formula C26H48O2Si and a molecular weight of 420.75 g/mol. Its IUPAC name is (16R)-16-[tert-butyl(dimethyl)silyl]oxyicosa-5,14-diyn-1-ol.

Molecular Properties

Compound Name(16R)-16-[tert-butyl(dimethyl)silyl]oxyicosa-5,14-diyn-1-ol
PubChem CID87979847
Molecular FormulaC26H48O2Si
Molecular Weight420.75 g/mol
Exact Mass420.34
IUPAC Name(16R)-16-[tert-butyl(dimethyl)silyl]oxyicosa-5,14-diyn-1-ol
SMILESCCCC[C@H](C#CCCCCCCCC#CCCCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48O2Si/c1-7-8-22-25(28-29(5,6)26(2,3)4)23-20-18-16-14-12-10-9-11-13-15-17-19-21-24-27/h25,27H,7-12,14,16-19,21-22,24H2,1-6H3/t25-/m1/s1
InChIKeyMGTQHSGLMWGHSE-RUZDIDTESA-N
XLogP7.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.75
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (16R)-16-[tert-butyl(dimethyl)silyl]oxyicosa-5,14-diyn-1-ol 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 (16R)-16-[tert-butyl(dimethyl)silyl]oxyicosa-5,14-diyn-1-ol?
The IUPAC name of (16R)-16-[tert-butyl(dimethyl)silyl]oxyicosa-5,14-diyn-1-ol (CID 87979847) is (16R)-16-[tert-butyl(dimethyl)silyl]oxyicosa-5,14-diyn-1-ol.
What is the SMILES notation for (16R)-16-[tert-butyl(dimethyl)silyl]oxyicosa-5,14-diyn-1-ol?
The canonical SMILES for (16R)-16-[tert-butyl(dimethyl)silyl]oxyicosa-5,14-diyn-1-ol is CCCC[C@H](C#CCCCCCCCC#CCCCCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (16R)-16-[tert-butyl(dimethyl)silyl]oxyicosa-5,14-diyn-1-ol?
The InChIKey is MGTQHSGLMWGHSE-RUZDIDTESA-N. The full InChI is InChI=1S/C26H48O2Si/c1-7-8-22-25(28-29(5,6)26(2,3)4)23-20-18-16-14-12-10-9-11-13-15-17-19-21-24-27/h25,27H,7-12,14,16-19,21-22,24H2,1-6H3/t25-/m1/s1.
What are the key properties of (16R)-16-[tert-butyl(dimethyl)silyl]oxyicosa-5,14-diyn-1-ol?
(16R)-16-[tert-butyl(dimethyl)silyl]oxyicosa-5,14-diyn-1-ol has a molecular weight of 420.75 g/mol, XLogP of 7.47, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (16R)-16-[tert-butyl(dimethyl)silyl]oxyicosa-5,14-diyn-1-ol is sourced from PubChem (CID 87979847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).