tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-but-1-ynylhept-4-ynoxy]-dimethylsilane

C24H46O2Si2 — CID 15038027

IUPACtert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-but-1-ynylhept-4-ynoxy]-dimethylsilane
SMILESCCC#C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C#CCC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46O2Si2/c1-13-15-17-21(19-25-27(9,10)23(3,4)5)22(18-16-14-2)20-26-28(11,12)24(6,7)8/h21-22H,13-14,19-20H2,1-12H3/t21-,22+
InChIKeyXSMYCAOPLGBIMJ-SZPZYZBQSA-N
MW422.80 g/mol
LogP7.09
Rot. Bonds7

About tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-but-1-ynylhept-4-ynoxy]-dimethylsilane

tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-but-1-ynylhept-4-ynoxy]-dimethylsilane (PubChem CID 15038027) has the molecular formula C24H46O2Si2 and a molecular weight of 422.80 g/mol. Its IUPAC name is tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-but-1-ynylhept-4-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-but-1-ynylhept-4-ynoxy]-dimethylsilane
PubChem CID15038027
Molecular FormulaC24H46O2Si2
Molecular Weight422.80 g/mol
Exact Mass422.30
IUPAC Nametert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-but-1-ynylhept-4-ynoxy]-dimethylsilane
SMILESCCC#C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C#CCC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46O2Si2/c1-13-15-17-21(19-25-27(9,10)23(3,4)5)22(18-16-14-2)20-26-28(11,12)24(6,7)8/h21-22H,13-14,19-20H2,1-12H3/t21-,22+
InChIKeyXSMYCAOPLGBIMJ-SZPZYZBQSA-N
XLogP7.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.80
LogP ≤ 57.09
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-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-but-1-ynylhept-4-ynoxy]-dimethylsilane with MolForge

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Related Compounds

2,2,3,3,12,12,13,13-Octamethyl-4,11-dioxa-3,12-disilatetradec-7-yne
CID 13470485
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CID 10248363
2,2,3,3,14,14,15,15-Octamethyl-4,13-dioxa-3,14-disilahexadec-8-yne
CID 10883176
Tri(propan-2-yl)-[5-tri(propan-2-yl)silyloxypent-1-ynoxy]silane
CID 10884155
tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynylpent-4-ynoxy]-dimethylsilane
CID 11014028
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-but-1-ynylhept-4-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-but-1-ynylhept-4-ynoxy]-dimethylsilane (CID 15038027) is tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-but-1-ynylhept-4-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-but-1-ynylhept-4-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-but-1-ynylhept-4-ynoxy]-dimethylsilane is CCC#C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C#CCC)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-but-1-ynylhept-4-ynoxy]-dimethylsilane?
The InChIKey is XSMYCAOPLGBIMJ-SZPZYZBQSA-N. The full InChI is InChI=1S/C24H46O2Si2/c1-13-15-17-21(19-25-27(9,10)23(3,4)5)22(18-16-14-2)20-26-28(11,12)24(6,7)8/h21-22H,13-14,19-20H2,1-12H3/t21-,22+.
What are the key properties of tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-but-1-ynylhept-4-ynoxy]-dimethylsilane?
tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-but-1-ynylhept-4-ynoxy]-dimethylsilane has a molecular weight of 422.80 g/mol, XLogP of 7.09, 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-but-1-ynylhept-4-ynoxy]-dimethylsilane is sourced from PubChem (CID 15038027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).