6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylocta-2,7-diyn-1-ol

C16H28O2Si — CID 10612795

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylocta-2,7-diyn-1-ol
SMILESC#CC(CC(C)(C)C#CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O2Si/c1-9-14(13-16(5,6)11-10-12-17)18-19(7,8)15(2,3)4/h1,14,17H,12-13H2,2-8H3
InChIKeyUXSNZMATIMHUIR-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.42
Rot. Bonds4

About 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylocta-2,7-diyn-1-ol

6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylocta-2,7-diyn-1-ol (PubChem CID 10612795) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylocta-2,7-diyn-1-ol.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylocta-2,7-diyn-1-ol
PubChem CID10612795
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylocta-2,7-diyn-1-ol
SMILESC#CC(CC(C)(C)C#CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O2Si/c1-9-14(13-16(5,6)11-10-12-17)18-19(7,8)15(2,3)4/h1,14,17H,12-13H2,2-8H3
InChIKeyUXSNZMATIMHUIR-UHFFFAOYSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(3S)-6-chlorohex-1-yn-3-yl]oxy-dimethylsilane
CID 71503804
tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;but-2-yne-1,4-diol
CID 86745388
tert-butyl-dimethyl-[(Z,3S)-oct-5-en-1-yn-3-yl]oxysilane
CID 169074612
[(1S,3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylbutoxy]-tert-butyl-dimethylsilane
CID 11271407
(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-1-ol
CID 10595476
3-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-5-methylphenol
CID 11197049
methyl (2Z,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxynona-2,4-dien-8-ynoate
CID 138968407
(2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-yn-1-ol
CID 121013901
tert-butyl-(2-methoxybut-3-ynoxy)-dimethylsilane
CID 131742760
(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhex-5-en-2-yne-1,4-diol
CID 102483527
tert-butyl-[(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-yl]oxy-dimethylsilane
CID 59913497
tert-butyl-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-trimethylsilyloxyhex-5-ynoxy]-diphenylsilane
CID 45258202

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylocta-2,7-diyn-1-ol?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylocta-2,7-diyn-1-ol (CID 10612795) is 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylocta-2,7-diyn-1-ol.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylocta-2,7-diyn-1-ol?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylocta-2,7-diyn-1-ol is C#CC(CC(C)(C)C#CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylocta-2,7-diyn-1-ol?
The InChIKey is UXSNZMATIMHUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-9-14(13-16(5,6)11-10-12-17)18-19(7,8)15(2,3)4/h1,14,17H,12-13H2,2-8H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylocta-2,7-diyn-1-ol?
6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylocta-2,7-diyn-1-ol has a molecular weight of 280.48 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylocta-2,7-diyn-1-ol is sourced from PubChem (CID 10612795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).