(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-yn-1-ol

C24H50O2Si2 — CID 145294790

IUPAC(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-yn-1-ol
SMILESCC(C)[Si](C#C[C@H](C)C[C@@H](CCCO)O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H50O2Si2/c1-19(2)28(20(3)4,21(5)6)17-15-22(7)18-23(14-13-16-25)26-27(11,12)24(8,9)10/h19-23,25H,13-14,16,18H2,1-12H3/t22-,23+/m0/s1
InChIKeyONGNQLQQVGZJDZ-XZOQPEGZSA-N
MW426.83 g/mol
LogP7.40
Rot. Bonds10

About (4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-yn-1-ol

(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-yn-1-ol (PubChem CID 145294790) has the molecular formula C24H50O2Si2 and a molecular weight of 426.83 g/mol. Its IUPAC name is (4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-yn-1-ol.

Molecular Properties

Compound Name(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-yn-1-ol
PubChem CID145294790
Molecular FormulaC24H50O2Si2
Molecular Weight426.83 g/mol
Exact Mass426.33
IUPAC Name(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-yn-1-ol
SMILESCC(C)[Si](C#C[C@H](C)C[C@@H](CCCO)O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H50O2Si2/c1-19(2)28(20(3)4,21(5)6)17-15-22(7)18-23(14-13-16-25)26-27(11,12)24(8,9)10/h19-23,25H,13-14,16,18H2,1-12H3/t22-,23+/m0/s1
InChIKeyONGNQLQQVGZJDZ-XZOQPEGZSA-N
XLogP7.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.83
LogP ≤ 57.40
H-Bond Donors ≤ 51
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 (4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-yn-1-ol?
The IUPAC name of (4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-yn-1-ol (CID 145294790) is (4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-yn-1-ol.
What is the SMILES notation for (4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-yn-1-ol?
The canonical SMILES for (4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-yn-1-ol is CC(C)[Si](C#C[C@H](C)C[C@@H](CCCO)O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of (4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-yn-1-ol?
The InChIKey is ONGNQLQQVGZJDZ-XZOQPEGZSA-N. The full InChI is InChI=1S/C24H50O2Si2/c1-19(2)28(20(3)4,21(5)6)17-15-22(7)18-23(14-13-16-25)26-27(11,12)24(8,9)10/h19-23,25H,13-14,16,18H2,1-12H3/t22-,23+/m0/s1.
What are the key properties of (4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-yn-1-ol?
(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-yn-1-ol has a molecular weight of 426.83 g/mol, XLogP of 7.40, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-yn-1-ol is sourced from PubChem (CID 145294790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).