tert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol

C24H30O2Si — CID 160529353

IUPACtert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol
SMILESC#CCCO.C#CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H24OSi.C4H6O/c1-5-6-17-21-22(20(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19;1-2-3-4-5/h1,7-16H,6,17H2,2-4H3;1,5H,3-4H2
InChIKeyQVIDOUQXBFKWTC-UHFFFAOYSA-N
MW378.59 g/mol
LogP3.59
Rot. Bonds6

About tert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol

tert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol (PubChem CID 160529353) has the molecular formula C24H30O2Si and a molecular weight of 378.59 g/mol. Its IUPAC name is tert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol.

Molecular Properties

Compound Nametert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol
PubChem CID160529353
Molecular FormulaC24H30O2Si
Molecular Weight378.59 g/mol
Exact Mass378.20
IUPAC Nametert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol
SMILESC#CCCO.C#CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H24OSi.C4H6O/c1-5-6-17-21-22(20(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19;1-2-3-4-5/h1,7-16H,6,17H2,2-4H3;1,5H,3-4H2
InChIKeyQVIDOUQXBFKWTC-UHFFFAOYSA-N
XLogP3.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.59
LogP ≤ 53.59
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

7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
CID 132916775
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
(3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol
CID 23624368
tert-butyl-hex-3-ynoxy-diphenylsilane
CID 10860665
tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane
CID 10546631
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
lithium;butane;16-[tert-butyl(diphenyl)silyl]oxyhexadec-2-yn-1-ol;tert-butyl-pentadec-14-ynoxy-diphenylsilane
CID 157141596
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
tert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane
CID 122215628
[tert-butyl(diphenyl)silyl] pent-4-ynoate
CID 101226817
methyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate
CID 10926656

Frequently Asked Questions

What is the IUPAC name of tert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol?
The IUPAC name of tert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol (CID 160529353) is tert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol.
What is the SMILES notation for tert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol?
The canonical SMILES for tert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol is C#CCCO.C#CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol?
The InChIKey is QVIDOUQXBFKWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24OSi.C4H6O/c1-5-6-17-21-22(20(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19;1-2-3-4-5/h1,7-16H,6,17H2,2-4H3;1,5H,3-4H2.
What are the key properties of tert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol?
tert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol has a molecular weight of 378.59 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol is sourced from PubChem (CID 160529353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).