(15R)-15-[tert-butyl(dimethyl)silyl]oxynonadeca-4,13-diyn-1-ol

C25H46O2Si — CID 87979355

IUPAC(15R)-15-[tert-butyl(dimethyl)silyl]oxynonadeca-4,13-diyn-1-ol
SMILESCCCC[C@H](C#CCCCCCCCC#CCCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H46O2Si/c1-7-8-21-24(27-28(5,6)25(2,3)4)22-19-17-15-13-11-9-10-12-14-16-18-20-23-26/h24,26H,7-13,15,17-18,20-21,23H2,1-6H3/t24-/m1/s1
InChIKeyZYGGSMRNUCNKLJ-XMMPIXPASA-N
MW406.73 g/mol
LogP7.08
Rot. Bonds13

About (15R)-15-[tert-butyl(dimethyl)silyl]oxynonadeca-4,13-diyn-1-ol

(15R)-15-[tert-butyl(dimethyl)silyl]oxynonadeca-4,13-diyn-1-ol (PubChem CID 87979355) has the molecular formula C25H46O2Si and a molecular weight of 406.73 g/mol. Its IUPAC name is (15R)-15-[tert-butyl(dimethyl)silyl]oxynonadeca-4,13-diyn-1-ol.

Molecular Properties

Compound Name(15R)-15-[tert-butyl(dimethyl)silyl]oxynonadeca-4,13-diyn-1-ol
PubChem CID87979355
Molecular FormulaC25H46O2Si
Molecular Weight406.73 g/mol
Exact Mass406.33
IUPAC Name(15R)-15-[tert-butyl(dimethyl)silyl]oxynonadeca-4,13-diyn-1-ol
SMILESCCCC[C@H](C#CCCCCCCCC#CCCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H46O2Si/c1-7-8-21-24(27-28(5,6)25(2,3)4)22-19-17-15-13-11-9-10-12-14-16-18-20-23-26/h24,26H,7-13,15,17-18,20-21,23H2,1-6H3/t24-/m1/s1
InChIKeyZYGGSMRNUCNKLJ-XMMPIXPASA-N
XLogP7.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.73
LogP ≤ 57.08
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'}

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Frequently Asked Questions

What is the IUPAC name of (15R)-15-[tert-butyl(dimethyl)silyl]oxynonadeca-4,13-diyn-1-ol?
The IUPAC name of (15R)-15-[tert-butyl(dimethyl)silyl]oxynonadeca-4,13-diyn-1-ol (CID 87979355) is (15R)-15-[tert-butyl(dimethyl)silyl]oxynonadeca-4,13-diyn-1-ol.
What is the SMILES notation for (15R)-15-[tert-butyl(dimethyl)silyl]oxynonadeca-4,13-diyn-1-ol?
The canonical SMILES for (15R)-15-[tert-butyl(dimethyl)silyl]oxynonadeca-4,13-diyn-1-ol is CCCC[C@H](C#CCCCCCCCC#CCCCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (15R)-15-[tert-butyl(dimethyl)silyl]oxynonadeca-4,13-diyn-1-ol?
The InChIKey is ZYGGSMRNUCNKLJ-XMMPIXPASA-N. The full InChI is InChI=1S/C25H46O2Si/c1-7-8-21-24(27-28(5,6)25(2,3)4)22-19-17-15-13-11-9-10-12-14-16-18-20-23-26/h24,26H,7-13,15,17-18,20-21,23H2,1-6H3/t24-/m1/s1.
What are the key properties of (15R)-15-[tert-butyl(dimethyl)silyl]oxynonadeca-4,13-diyn-1-ol?
(15R)-15-[tert-butyl(dimethyl)silyl]oxynonadeca-4,13-diyn-1-ol has a molecular weight of 406.73 g/mol, XLogP of 7.08, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (15R)-15-[tert-butyl(dimethyl)silyl]oxynonadeca-4,13-diyn-1-ol is sourced from PubChem (CID 87979355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).