[(1R,2S,3S,4R)-1-[(2S)-butan-2-yl]-2,4-dimethyl-3-trimethylsilyloxyhept-5-ynoxy]-tert-butyl-dimethylsilane

C22H46O2Si2 — CID 25107594

IUPAC[(1R,2S,3S,4R)-1-[(2S)-butan-2-yl]-2,4-dimethyl-3-trimethylsilyloxyhept-5-ynoxy]-tert-butyl-dimethylsilane
SMILESCC#C[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC
InChIInChI=1S/C22H46O2Si2/c1-14-16-18(4)21(23-25(9,10)11)19(5)20(17(3)15-2)24-26(12,13)22(6,7)8/h17-21H,15H2,1-13H3/t17-,18+,19-,20+,21-/m0/s1
InChIKeyHDMMMFGVANYPSE-LUYSREMJSA-N
MW398.78 g/mol
LogP6.94
Rot. Bonds9

About [(1R,2S,3S,4R)-1-[(2S)-butan-2-yl]-2,4-dimethyl-3-trimethylsilyloxyhept-5-ynoxy]-tert-butyl-dimethylsilane

[(1R,2S,3S,4R)-1-[(2S)-butan-2-yl]-2,4-dimethyl-3-trimethylsilyloxyhept-5-ynoxy]-tert-butyl-dimethylsilane (PubChem CID 25107594) has the molecular formula C22H46O2Si2 and a molecular weight of 398.78 g/mol. Its IUPAC name is [(1R,2S,3S,4R)-1-[(2S)-butan-2-yl]-2,4-dimethyl-3-trimethylsilyloxyhept-5-ynoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,2S,3S,4R)-1-[(2S)-butan-2-yl]-2,4-dimethyl-3-trimethylsilyloxyhept-5-ynoxy]-tert-butyl-dimethylsilane
PubChem CID25107594
Molecular FormulaC22H46O2Si2
Molecular Weight398.78 g/mol
Exact Mass398.30
IUPAC Name[(1R,2S,3S,4R)-1-[(2S)-butan-2-yl]-2,4-dimethyl-3-trimethylsilyloxyhept-5-ynoxy]-tert-butyl-dimethylsilane
SMILESCC#C[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC
InChIInChI=1S/C22H46O2Si2/c1-14-16-18(4)21(23-25(9,10)11)19(5)20(17(3)15-2)24-26(12,13)22(6,7)8/h17-21H,15H2,1-13H3/t17-,18+,19-,20+,21-/m0/s1
InChIKeyHDMMMFGVANYPSE-LUYSREMJSA-N
XLogP6.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.78
LogP ≤ 56.94
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

Silane, diethyl(6-ethyloct-3-yloxy)propoxy-
CID 91714695
Silane, diethyl(6-ethyloct-3-yloxy)pentyloxy-
CID 91723826
Silane, dimethyl(2-methyloct-5-yn-4-yloxy)octyloxy-
CID 91740097
Silane, diethyldecyloxy(6-ethyloct-3-yloxy)-
CID 91744124
Silane, diethyldi(6-ethyloct-3-yloxy)-
CID 91744129
Silane, diethyl(6-ethyloct-3-yloxy)undecyloxy-
CID 91744445
Silane, diethyldodecyloxy(6-ethyloct-3-yloxy)-
CID 91744729
Silane, diethyl(6-ethyloct-3-yloxy)tridecyloxy-
CID 91744990
Silane, diethyl(6-ethyloct-3-yloxy)tetradecyloxy-
CID 91745182
Silane, diethyl(6-ethyloct-3-yloxy)pentadecyloxy-
CID 91745383
Silane, diethyl(6-ethyloct-3-yloxy)hexadecyloxy-
CID 91745523
Silane, diethyl(6-ethyloct-3-yloxy)heptadecyloxy-
CID 91745649

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3S,4R)-1-[(2S)-butan-2-yl]-2,4-dimethyl-3-trimethylsilyloxyhept-5-ynoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,2S,3S,4R)-1-[(2S)-butan-2-yl]-2,4-dimethyl-3-trimethylsilyloxyhept-5-ynoxy]-tert-butyl-dimethylsilane (CID 25107594) is [(1R,2S,3S,4R)-1-[(2S)-butan-2-yl]-2,4-dimethyl-3-trimethylsilyloxyhept-5-ynoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,2S,3S,4R)-1-[(2S)-butan-2-yl]-2,4-dimethyl-3-trimethylsilyloxyhept-5-ynoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,2S,3S,4R)-1-[(2S)-butan-2-yl]-2,4-dimethyl-3-trimethylsilyloxyhept-5-ynoxy]-tert-butyl-dimethylsilane is CC#C[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC.
What is the InChIKey of [(1R,2S,3S,4R)-1-[(2S)-butan-2-yl]-2,4-dimethyl-3-trimethylsilyloxyhept-5-ynoxy]-tert-butyl-dimethylsilane?
The InChIKey is HDMMMFGVANYPSE-LUYSREMJSA-N. The full InChI is InChI=1S/C22H46O2Si2/c1-14-16-18(4)21(23-25(9,10)11)19(5)20(17(3)15-2)24-26(12,13)22(6,7)8/h17-21H,15H2,1-13H3/t17-,18+,19-,20+,21-/m0/s1.
What are the key properties of [(1R,2S,3S,4R)-1-[(2S)-butan-2-yl]-2,4-dimethyl-3-trimethylsilyloxyhept-5-ynoxy]-tert-butyl-dimethylsilane?
[(1R,2S,3S,4R)-1-[(2S)-butan-2-yl]-2,4-dimethyl-3-trimethylsilyloxyhept-5-ynoxy]-tert-butyl-dimethylsilane has a molecular weight of 398.78 g/mol, XLogP of 6.94, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3S,4R)-1-[(2S)-butan-2-yl]-2,4-dimethyl-3-trimethylsilyloxyhept-5-ynoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 25107594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).