tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynylpent-4-ynoxy]-dimethylsilane

C20H38O2Si2 — CID 11014028

IUPACtert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynylpent-4-ynoxy]-dimethylsilane
SMILESC#CC(CO[Si](C)(C)C(C)(C)C)[C@@H](C#C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O2Si2/c1-13-17(15-21-23(9,10)19(3,4)5)18(14-2)16-22-24(11,12)20(6,7)8/h1-2,17-18H,15-16H2,3-12H3/t17-,18?/m0/s1
InChIKeyYRNVIDMGEJEWCL-ZENAZSQFSA-N
MW366.69 g/mol
LogP5.53
Rot. Bonds7

About tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynylpent-4-ynoxy]-dimethylsilane

tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynylpent-4-ynoxy]-dimethylsilane (PubChem CID 11014028) has the molecular formula C20H38O2Si2 and a molecular weight of 366.69 g/mol. Its IUPAC name is tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynylpent-4-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynylpent-4-ynoxy]-dimethylsilane
PubChem CID11014028
Molecular FormulaC20H38O2Si2
Molecular Weight366.69 g/mol
Exact Mass366.24
IUPAC Nametert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynylpent-4-ynoxy]-dimethylsilane
SMILESC#CC(CO[Si](C)(C)C(C)(C)C)[C@@H](C#C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O2Si2/c1-13-17(15-21-23(9,10)19(3,4)5)18(14-2)16-22-24(11,12)20(6,7)8/h1-2,17-18H,15-16H2,3-12H3/t17-,18?/m0/s1
InChIKeyYRNVIDMGEJEWCL-ZENAZSQFSA-N
XLogP5.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.69
LogP ≤ 55.53
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'}

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Related Compounds

2,2,3,3,14,14,15,15-Octamethyl-4,13-dioxa-3,14-disilahexadec-8-yne
CID 10883176
tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-but-1-ynylhept-4-ynoxy]-dimethylsilane
CID 15038027
tert-butyl-dimethyl-[(3S)-3-methyl-5-trimethylsilylpent-4-ynoxy]silane
CID 16050210
tert-butyl-dimethyl-[(2S)-2-methyl-4-tri(propan-2-yl)silyloxybut-3-ynoxy]silane
CID 134873799
tert-butyl-dimethyl-[(2R)-2-methyl-5-trimethylsilylpent-4-ynoxy]silane
CID 134963608
tert-butyl-[(2R,3R)-2,3-dimethyl-5-trimethylsilylpent-4-ynoxy]-dimethylsilane
CID 154722507
2-Methyl-1,4-butanediol, bis(tert-butyldimethylsilyl) ether
CID 91719412
2,3-Dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane
CID 102446290
tert-butyl-dimethyl-[(2R)-2-methyl-4-tri(propan-2-yl)silyloxybut-3-ynoxy]silane
CID 10959633
Tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diynoxy]-dimethylsilane
CID 11280882
tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-ynoxy]-dimethylsilane
CID 24749921
tert-butyl-dimethyl-[(3R)-3-methyl-4-triethylsilyloxybutoxy]silane
CID 24862359

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynylpent-4-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynylpent-4-ynoxy]-dimethylsilane (CID 11014028) is tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynylpent-4-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynylpent-4-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynylpent-4-ynoxy]-dimethylsilane is C#CC(CO[Si](C)(C)C(C)(C)C)[C@@H](C#C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynylpent-4-ynoxy]-dimethylsilane?
The InChIKey is YRNVIDMGEJEWCL-ZENAZSQFSA-N. The full InChI is InChI=1S/C20H38O2Si2/c1-13-17(15-21-23(9,10)19(3,4)5)18(14-2)16-22-24(11,12)20(6,7)8/h1-2,17-18H,15-16H2,3-12H3/t17-,18?/m0/s1.
What are the key properties of tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynylpent-4-ynoxy]-dimethylsilane?
tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynylpent-4-ynoxy]-dimethylsilane has a molecular weight of 366.69 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynylpent-4-ynoxy]-dimethylsilane is sourced from PubChem (CID 11014028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).