3-[(10R)-10-[tert-butyl(dimethyl)silyl]oxytetradec-8-ynoxy]propan-1-ol

C23H46O3Si — CID 87948277

IUPAC3-[(10R)-10-[tert-butyl(dimethyl)silyl]oxytetradec-8-ynoxy]propan-1-ol
SMILESCCCC[C@H](C#CCCCCCCCOCCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O3Si/c1-7-8-17-22(26-27(5,6)23(2,3)4)18-14-12-10-9-11-13-15-20-25-21-16-19-24/h22,24H,7-13,15-17,19-21H2,1-6H3/t22-/m1/s1
InChIKeyCVOOWKIAUMAFAR-JOCHJYFZSA-N
MW398.70 g/mol
LogP6.31
Rot. Bonds15

About 3-[(10R)-10-[tert-butyl(dimethyl)silyl]oxytetradec-8-ynoxy]propan-1-ol

3-[(10R)-10-[tert-butyl(dimethyl)silyl]oxytetradec-8-ynoxy]propan-1-ol (PubChem CID 87948277) has the molecular formula C23H46O3Si and a molecular weight of 398.70 g/mol. Its IUPAC name is 3-[(10R)-10-[tert-butyl(dimethyl)silyl]oxytetradec-8-ynoxy]propan-1-ol.

Molecular Properties

Compound Name3-[(10R)-10-[tert-butyl(dimethyl)silyl]oxytetradec-8-ynoxy]propan-1-ol
PubChem CID87948277
Molecular FormulaC23H46O3Si
Molecular Weight398.70 g/mol
Exact Mass398.32
IUPAC Name3-[(10R)-10-[tert-butyl(dimethyl)silyl]oxytetradec-8-ynoxy]propan-1-ol
SMILESCCCC[C@H](C#CCCCCCCCOCCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O3Si/c1-7-8-17-22(26-27(5,6)23(2,3)4)18-14-12-10-9-11-13-15-20-25-21-16-19-24/h22,24H,7-13,15-17,19-21H2,1-6H3/t22-/m1/s1
InChIKeyCVOOWKIAUMAFAR-JOCHJYFZSA-N
XLogP6.31
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.70
LogP ≤ 56.31
H-Bond Donors ≤ 51
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': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[(10R)-10-[tert-butyl(dimethyl)silyl]oxytetradec-8-ynoxy]propan-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 3-[(10R)-10-[tert-butyl(dimethyl)silyl]oxytetradec-8-ynoxy]propan-1-ol?
The IUPAC name of 3-[(10R)-10-[tert-butyl(dimethyl)silyl]oxytetradec-8-ynoxy]propan-1-ol (CID 87948277) is 3-[(10R)-10-[tert-butyl(dimethyl)silyl]oxytetradec-8-ynoxy]propan-1-ol.
What is the SMILES notation for 3-[(10R)-10-[tert-butyl(dimethyl)silyl]oxytetradec-8-ynoxy]propan-1-ol?
The canonical SMILES for 3-[(10R)-10-[tert-butyl(dimethyl)silyl]oxytetradec-8-ynoxy]propan-1-ol is CCCC[C@H](C#CCCCCCCCOCCCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[(10R)-10-[tert-butyl(dimethyl)silyl]oxytetradec-8-ynoxy]propan-1-ol?
The InChIKey is CVOOWKIAUMAFAR-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H46O3Si/c1-7-8-17-22(26-27(5,6)23(2,3)4)18-14-12-10-9-11-13-15-20-25-21-16-19-24/h22,24H,7-13,15-17,19-21H2,1-6H3/t22-/m1/s1.
What are the key properties of 3-[(10R)-10-[tert-butyl(dimethyl)silyl]oxytetradec-8-ynoxy]propan-1-ol?
3-[(10R)-10-[tert-butyl(dimethyl)silyl]oxytetradec-8-ynoxy]propan-1-ol has a molecular weight of 398.70 g/mol, XLogP of 6.31, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(10R)-10-[tert-butyl(dimethyl)silyl]oxytetradec-8-ynoxy]propan-1-ol is sourced from PubChem (CID 87948277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).