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

C24H48O2Si2 — CID 145294785

IUPAC(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-ynal
SMILESCC(C)[Si](C#C[C@H](C)C[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H48O2Si2/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/h16,19-23H,13-14,18H2,1-12H3/t22-,23+/m0/s1
InChIKeyUSBXQGGSAFINOC-XZOQPEGZSA-N
MW424.82 g/mol
LogP7.60
Rot. Bonds10

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

(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-ynal (PubChem CID 145294785) has the molecular formula C24H48O2Si2 and a molecular weight of 424.82 g/mol. Its IUPAC name is (4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-ynal.

Molecular Properties

Compound Name(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-ynal
PubChem CID145294785
Molecular FormulaC24H48O2Si2
Molecular Weight424.82 g/mol
Exact Mass424.32
IUPAC Name(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-ynal
SMILESCC(C)[Si](C#C[C@H](C)C[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H48O2Si2/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/h16,19-23H,13-14,18H2,1-12H3/t22-,23+/m0/s1
InChIKeyUSBXQGGSAFINOC-XZOQPEGZSA-N
XLogP7.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.82
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-ynal?
The IUPAC name of (4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-ynal (CID 145294785) is (4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-ynal.
What is the SMILES notation for (4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-ynal?
The canonical SMILES for (4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-ynal is CC(C)[Si](C#C[C@H](C)C[C@@H](CCC=O)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-ynal?
The InChIKey is USBXQGGSAFINOC-XZOQPEGZSA-N. The full InChI is InChI=1S/C24H48O2Si2/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/h16,19-23H,13-14,18H2,1-12H3/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-ynal?
(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-ynal has a molecular weight of 424.82 g/mol, XLogP of 7.60, 10 rotatable bonds, 0 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-ynal is sourced from PubChem (CID 145294785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).