5-[tert-butyl(dimethyl)silyl]oxyoct-6-yn-1-ol

C14H28O2Si — CID 135017970

IUPAC5-[tert-butyl(dimethyl)silyl]oxyoct-6-yn-1-ol
SMILESCC#CC(CCCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-7-10-13(11-8-9-12-15)16-17(5,6)14(2,3)4/h13,15H,8-9,11-12H2,1-6H3
InChIKeyWAMUYBCAKOMBAX-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.56
Rot. Bonds6

About 5-[tert-butyl(dimethyl)silyl]oxyoct-6-yn-1-ol

5-[tert-butyl(dimethyl)silyl]oxyoct-6-yn-1-ol (PubChem CID 135017970) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxyoct-6-yn-1-ol.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxyoct-6-yn-1-ol
PubChem CID135017970
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxyoct-6-yn-1-ol
SMILESCC#CC(CCCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-7-10-13(11-8-9-12-15)16-17(5,6)14(2,3)4/h13,15H,8-9,11-12H2,1-6H3
InChIKeyWAMUYBCAKOMBAX-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

(3S)-1-trimethylsilyloct-1-yn-3-ol
CID 12447768
7-Trimethylsilylhept-6-yne-1,5-diol
CID 23240932
2-Hexanol, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10376666
(5R)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 11264771
(S)-1-(trimethylsilyl)hept-1-yn-3-ol
CID 12623485
4-[Tert-butyl(dimethyl)silyl]oxynon-2-yn-1-ol
CID 85825729
(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 101479286
8-Trimethylsilyldodec-6-yn-5-ol
CID 10354989
2-Methyl-2-trimethylsilylnon-3-yn-5-ol
CID 10466273
(3S,7R)-1,9-bis(trimethylsilyl)nona-1,8-diyne-3,5,7-triol
CID 15142640
(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhexane-1,2-diol
CID 44604185
1-Trimethylsilylnon-2-yn-4-ol
CID 86087833

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxyoct-6-yn-1-ol?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxyoct-6-yn-1-ol (CID 135017970) is 5-[tert-butyl(dimethyl)silyl]oxyoct-6-yn-1-ol.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxyoct-6-yn-1-ol?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxyoct-6-yn-1-ol is CC#CC(CCCCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxyoct-6-yn-1-ol?
The InChIKey is WAMUYBCAKOMBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-7-10-13(11-8-9-12-15)16-17(5,6)14(2,3)4/h13,15H,8-9,11-12H2,1-6H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxyoct-6-yn-1-ol?
5-[tert-butyl(dimethyl)silyl]oxyoct-6-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 5-[tert-butyl(dimethyl)silyl]oxyoct-6-yn-1-ol is sourced from PubChem (CID 135017970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).