8-[tert-butyl(dimethyl)silyl]oxyoct-3-yn-1-ol

C14H28O2Si — CID 99772872

IUPAC8-[tert-butyl(dimethyl)silyl]oxyoct-3-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCCC#CCCO
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-13-11-9-7-6-8-10-12-15/h15H,7,9-13H2,1-5H3
InChIKeyLPOVWRRYOJAICF-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.56
Rot. Bonds6

About 8-[tert-butyl(dimethyl)silyl]oxyoct-3-yn-1-ol

8-[tert-butyl(dimethyl)silyl]oxyoct-3-yn-1-ol (PubChem CID 99772872) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 8-[tert-butyl(dimethyl)silyl]oxyoct-3-yn-1-ol.

Molecular Properties

Compound Name8-[tert-butyl(dimethyl)silyl]oxyoct-3-yn-1-ol
PubChem CID99772872
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name8-[tert-butyl(dimethyl)silyl]oxyoct-3-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCCC#CCCO
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-13-11-9-7-6-8-10-12-15/h15H,7,9-13H2,1-5H3
InChIKeyLPOVWRRYOJAICF-UHFFFAOYSA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.56
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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Related Compounds

5-Trimethylsilyl-4-pentyn-1-ol
CID 2760861
5-((Tert-butyldimethylsilyl)oxy)pentan-1-ol
CID 3614318
4-((Tert-butyldimethylsilyl)oxy)but-2-yn-1-ol
CID 5461845
1-Hexanol, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11195649
2-Hexyn-1-ol, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 359271
6-(Trimethylsilyl)hex-4-yn-1-ol
CID 13434250
4-(Tert-butyldimethylsilyl)but-3-yn-1-ol
CID 86178901
6-(Trimethylsilyl)hex-5-yn-1-ol
CID 10877568
7-(Trimethylsilyl)hept-6-yn-1-ol
CID 11183041
8-Trimethylsilylocta-5,7-diyn-1-ol
CID 11298503
2-Pentyn-1-ol, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11820573
4-Pentyn-1-ol, 5-[tris(1-methylethyl)silyl]-
CID 14060629

Frequently Asked Questions

What is the IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxyoct-3-yn-1-ol?
The IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxyoct-3-yn-1-ol (CID 99772872) is 8-[tert-butyl(dimethyl)silyl]oxyoct-3-yn-1-ol.
What is the SMILES notation for 8-[tert-butyl(dimethyl)silyl]oxyoct-3-yn-1-ol?
The canonical SMILES for 8-[tert-butyl(dimethyl)silyl]oxyoct-3-yn-1-ol is CC(C)(C)[Si](C)(C)OCCCCC#CCCO.
What is the InChIKey of 8-[tert-butyl(dimethyl)silyl]oxyoct-3-yn-1-ol?
The InChIKey is LPOVWRRYOJAICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-13-11-9-7-6-8-10-12-15/h15H,7,9-13H2,1-5H3.
What are the key properties of 8-[tert-butyl(dimethyl)silyl]oxyoct-3-yn-1-ol?
8-[tert-butyl(dimethyl)silyl]oxyoct-3-yn-1-ol has a molecular weight of 256.46 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(dimethyl)silyl]oxyoct-3-yn-1-ol is sourced from PubChem (CID 99772872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).