tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-tri(propan-2-yl)silyloxyoct-6-ynoxy]silane

C24H50O2Si2 — CID 57379499

IUPACtert-butyl-dimethyl-[(3R,4S)-4-methyl-3-tri(propan-2-yl)silyloxyoct-6-ynoxy]silane
SMILESCC#CC[C@H](C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H50O2Si2/c1-14-15-16-22(8)23(17-18-25-27(12,13)24(9,10)11)26-28(19(2)3,20(4)5)21(6)7/h19-23H,16-18H2,1-13H3/t22-,23+/m0/s1
InChIKeyVJZFKLPBMOYLBB-XZOQPEGZSA-N
MW426.83 g/mol
LogP8.01
Rot. Bonds11

About tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-tri(propan-2-yl)silyloxyoct-6-ynoxy]silane

tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-tri(propan-2-yl)silyloxyoct-6-ynoxy]silane (PubChem CID 57379499) has the molecular formula C24H50O2Si2 and a molecular weight of 426.83 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-tri(propan-2-yl)silyloxyoct-6-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3R,4S)-4-methyl-3-tri(propan-2-yl)silyloxyoct-6-ynoxy]silane
PubChem CID57379499
Molecular FormulaC24H50O2Si2
Molecular Weight426.83 g/mol
Exact Mass426.33
IUPAC Nametert-butyl-dimethyl-[(3R,4S)-4-methyl-3-tri(propan-2-yl)silyloxyoct-6-ynoxy]silane
SMILESCC#CC[C@H](C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H50O2Si2/c1-14-15-16-22(8)23(17-18-25-27(12,13)24(9,10)11)26-28(19(2)3,20(4)5)21(6)7/h19-23H,16-18H2,1-13H3/t22-,23+/m0/s1
InChIKeyVJZFKLPBMOYLBB-XZOQPEGZSA-N
XLogP8.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.83
LogP ≤ 58.01
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-tri(propan-2-yl)silyloxyoct-6-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-tri(propan-2-yl)silyloxyoct-6-ynoxy]silane (CID 57379499) is tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-tri(propan-2-yl)silyloxyoct-6-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-tri(propan-2-yl)silyloxyoct-6-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-tri(propan-2-yl)silyloxyoct-6-ynoxy]silane is CC#CC[C@H](C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-tri(propan-2-yl)silyloxyoct-6-ynoxy]silane?
The InChIKey is VJZFKLPBMOYLBB-XZOQPEGZSA-N. The full InChI is InChI=1S/C24H50O2Si2/c1-14-15-16-22(8)23(17-18-25-27(12,13)24(9,10)11)26-28(19(2)3,20(4)5)21(6)7/h19-23H,16-18H2,1-13H3/t22-,23+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-tri(propan-2-yl)silyloxyoct-6-ynoxy]silane?
tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-tri(propan-2-yl)silyloxyoct-6-ynoxy]silane has a molecular weight of 426.83 g/mol, XLogP of 8.01, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-tri(propan-2-yl)silyloxyoct-6-ynoxy]silane is sourced from PubChem (CID 57379499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).