tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;but-2-yne-1,4-diol

C16H36O3Si2 — CID 86745388

IUPACtert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;but-2-yne-1,4-diol
SMILESCC(C)(C)[Si](C)(C)O[Si](C)(C)C(C)(C)C.OCC#CCO
InChIInChI=1S/C12H30OSi2.C4H6O2/c1-11(2,3)14(7,8)13-15(9,10)12(4,5)6;5-3-1-2-4-6/h1-10H3;5-6H,3-4H2
InChIKeyQVYIVJNBQIPLAA-UHFFFAOYSA-N
MW332.63 g/mol
LogP3.99
Rot. Bonds2

About tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;but-2-yne-1,4-diol

tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;but-2-yne-1,4-diol (PubChem CID 86745388) has the molecular formula C16H36O3Si2 and a molecular weight of 332.63 g/mol. Its IUPAC name is tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;but-2-yne-1,4-diol.

Molecular Properties

Compound Nametert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;but-2-yne-1,4-diol
PubChem CID86745388
Molecular FormulaC16H36O3Si2
Molecular Weight332.63 g/mol
Exact Mass332.22
IUPAC Nametert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;but-2-yne-1,4-diol
SMILESCC(C)(C)[Si](C)(C)O[Si](C)(C)C(C)(C)C.OCC#CCO
InChIInChI=1S/C12H30OSi2.C4H6O2/c1-11(2,3)14(7,8)13-15(9,10)12(4,5)6;5-3-1-2-4-6/h1-10H3;5-6H,3-4H2
InChIKeyQVYIVJNBQIPLAA-UHFFFAOYSA-N
XLogP3.99
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;2-iodobutan-2-ol
CID 174377351
tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;6-iodohexa-2,3-dien-1-ol
CID 88698590
(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhex-5-en-2-yne-1,4-diol
CID 102483527
6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylocta-2,7-diyn-1-ol
CID 10612795
3-[tert-butyl(dimethyl)silyl]oxy-1,1,2,2,3,3-hexadeuteriopropan-1-ol
CID 71777166
tert-butyl-[tert-butyl-(chloromethyl)-methylsilyl]oxy-dimethylsilane
CID 90417786
(4-bromo-4,4-difluorobut-2-ynoxy)-tert-butyl-dimethylsilane;5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol;4,4-difluoropent-2-yne-1,5-diol
CID 157255641
tert-butyl-[[2,2-dimethyl-1,1-bis(trimethylsilyl)propyl]-hydroxy-trimethylsilylsilyl]oxy-dimethylsilane
CID 100923515
5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-2-yn-1-ol
CID 10399504
(7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(methoxymethoxy)-7-methyloct-2-yn-1-ol
CID 11727654
4-(1-butylcyclobutyl)-4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol
CID 66993804
5-[tert-butyl(dimethyl)silyl]oxypent-3-yn-2-ol
CID 59595119

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;but-2-yne-1,4-diol?
The IUPAC name of tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;but-2-yne-1,4-diol (CID 86745388) is tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;but-2-yne-1,4-diol.
What is the SMILES notation for tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;but-2-yne-1,4-diol?
The canonical SMILES for tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;but-2-yne-1,4-diol is CC(C)(C)[Si](C)(C)O[Si](C)(C)C(C)(C)C.OCC#CCO.
What is the InChIKey of tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;but-2-yne-1,4-diol?
The InChIKey is QVYIVJNBQIPLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30OSi2.C4H6O2/c1-11(2,3)14(7,8)13-15(9,10)12(4,5)6;5-3-1-2-4-6/h1-10H3;5-6H,3-4H2.
What are the key properties of tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;but-2-yne-1,4-diol?
tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;but-2-yne-1,4-diol has a molecular weight of 332.63 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;but-2-yne-1,4-diol is sourced from PubChem (CID 86745388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).