tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylpent-4-ynoxy]-dimethylsilane

C19H36O2Si2 — CID 154707127

IUPACtert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylpent-4-ynoxy]-dimethylsilane
SMILESC#C[C@H](C[C@H](C#C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O2Si2/c1-13-16(20-22(9,10)18(3,4)5)15-17(14-2)21-23(11,12)19(6,7)8/h1-2,16-17H,15H2,3-12H3/t16-,17+
InChIKeyXWFUXNLGGJBKRS-CALCHBBNSA-N
MW352.67 g/mol
LogP5.42
Rot. Bonds6

About tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylpent-4-ynoxy]-dimethylsilane

tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylpent-4-ynoxy]-dimethylsilane (PubChem CID 154707127) has the molecular formula C19H36O2Si2 and a molecular weight of 352.67 g/mol. Its IUPAC name is tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylpent-4-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylpent-4-ynoxy]-dimethylsilane
PubChem CID154707127
Molecular FormulaC19H36O2Si2
Molecular Weight352.67 g/mol
Exact Mass352.23
IUPAC Nametert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylpent-4-ynoxy]-dimethylsilane
SMILESC#C[C@H](C[C@H](C#C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O2Si2/c1-13-16(20-22(9,10)18(3,4)5)15-17(14-2)21-23(11,12)19(6,7)8/h1-2,16-17H,15H2,3-12H3/t16-,17+
InChIKeyXWFUXNLGGJBKRS-CALCHBBNSA-N
XLogP5.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.67
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylpent-4-ynoxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Butanediol, bis-DMTBS
CID 14176658
tert-Butyl[(hex-1-yn-3-yl)oxy]dimethylsilane
CID 14493855
5,5,11,11-Tetrabutyl-7,9-dimethyl-6,10-dioxa-5,11-disilapentadecane
CID 71380604
Silane, dimethyl(dimethyl(non-5-yn-3-yloxy)silyloxy)isobutoxy-
CID 91733610
Silane, dimethyl(dimethyl(non-5-yn-3-yloxy)silyloxy)(non-5-yn-3-yloxy)-
CID 91740157
Tert-butyl-(4,4-dimethyl-1-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane
CID 10567903
Tert-butyl-(4,4-dimethyl-7-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane
CID 10829718
2,2,3,3,14,14,15,15-Octamethyl-4,13-dioxa-3,14-disilahexadec-8-yne
CID 10883176
tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoxy]-dimethylsilane
CID 10991922
Tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-ynoxy]-dimethylsilane
CID 11079446
(2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol
CID 11360351
[(2S,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-yl]oxy-triethylsilane
CID 11420371

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylpent-4-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylpent-4-ynoxy]-dimethylsilane (CID 154707127) is tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylpent-4-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylpent-4-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylpent-4-ynoxy]-dimethylsilane is C#C[C@H](C[C@H](C#C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylpent-4-ynoxy]-dimethylsilane?
The InChIKey is XWFUXNLGGJBKRS-CALCHBBNSA-N. The full InChI is InChI=1S/C19H36O2Si2/c1-13-16(20-22(9,10)18(3,4)5)15-17(14-2)21-23(11,12)19(6,7)8/h1-2,16-17H,15H2,3-12H3/t16-,17+.
What are the key properties of tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylpent-4-ynoxy]-dimethylsilane?
tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylpent-4-ynoxy]-dimethylsilane has a molecular weight of 352.67 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylpent-4-ynoxy]-dimethylsilane is sourced from PubChem (CID 154707127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).