tert-butyl-hex-5-ynoxy-dimethylsilane;hex-5-yn-1-ol

C18H34O2Si — CID 158514976

IUPACtert-butyl-hex-5-ynoxy-dimethylsilane;hex-5-yn-1-ol
SMILESC#CCCCCO.C#CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24OSi.C6H10O/c1-7-8-9-10-11-13-14(5,6)12(2,3)4;1-2-3-4-5-6-7/h1H,8-11H2,2-6H3;1,7H,3-6H2
InChIKeyHLNBMJJTZITHPZ-UHFFFAOYSA-N
MW310.55 g/mol
LogP4.59
Rot. Bonds8

About tert-butyl-hex-5-ynoxy-dimethylsilane;hex-5-yn-1-ol

tert-butyl-hex-5-ynoxy-dimethylsilane;hex-5-yn-1-ol (PubChem CID 158514976) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is tert-butyl-hex-5-ynoxy-dimethylsilane;hex-5-yn-1-ol.

Molecular Properties

Compound Nametert-butyl-hex-5-ynoxy-dimethylsilane;hex-5-yn-1-ol
PubChem CID158514976
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Nametert-butyl-hex-5-ynoxy-dimethylsilane;hex-5-yn-1-ol
SMILESC#CCCCCO.C#CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24OSi.C6H10O/c1-7-8-9-10-11-13-14(5,6)12(2,3)4;1-2-3-4-5-6-7/h1H,8-11H2,2-6H3;1,7H,3-6H2
InChIKeyHLNBMJJTZITHPZ-UHFFFAOYSA-N
XLogP4.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.55
LogP ≤ 54.59
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

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tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
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lithium tert-butyl-hex-5-ynoxy-dimethylsilane
CID 11009447
7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-1-ol
CID 21261679
10-[tert-butyl(dimethyl)silyl]oxy-1,1-dideuteriodecan-1-ol
CID 102212924
tert-butyl-(3-ethynoxypropoxy)-dimethylsilane
CID 176737355
6-ethoxyhex-1-yne;hex-5-yn-1-ol
CID 158489724

Frequently Asked Questions

What is the IUPAC name of tert-butyl-hex-5-ynoxy-dimethylsilane;hex-5-yn-1-ol?
The IUPAC name of tert-butyl-hex-5-ynoxy-dimethylsilane;hex-5-yn-1-ol (CID 158514976) is tert-butyl-hex-5-ynoxy-dimethylsilane;hex-5-yn-1-ol.
What is the SMILES notation for tert-butyl-hex-5-ynoxy-dimethylsilane;hex-5-yn-1-ol?
The canonical SMILES for tert-butyl-hex-5-ynoxy-dimethylsilane;hex-5-yn-1-ol is C#CCCCCO.C#CCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-hex-5-ynoxy-dimethylsilane;hex-5-yn-1-ol?
The InChIKey is HLNBMJJTZITHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi.C6H10O/c1-7-8-9-10-11-13-14(5,6)12(2,3)4;1-2-3-4-5-6-7/h1H,8-11H2,2-6H3;1,7H,3-6H2.
What are the key properties of tert-butyl-hex-5-ynoxy-dimethylsilane;hex-5-yn-1-ol?
tert-butyl-hex-5-ynoxy-dimethylsilane;hex-5-yn-1-ol has a molecular weight of 310.55 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-hex-5-ynoxy-dimethylsilane;hex-5-yn-1-ol is sourced from PubChem (CID 158514976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).