(4S,6R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-tri(propan-2-yl)silyloxydec-1-en-9-yn-4-ol

C25H50O3Si2 — CID 11155269

IUPAC(4S,6R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-tri(propan-2-yl)silyloxydec-1-en-9-yn-4-ol
SMILESC#C[C@H](C[C@@H](C[C@@H](O)CC=C)O[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H50O3Si2/c1-14-16-22(26)17-24(27-29(12,13)25(9,10)11)18-23(15-2)28-30(19(3)4,20(5)6)21(7)8/h2,14,19-24,26H,1,16-18H2,3-13H3/t22-,23+,24+/m0/s1
InChIKeyAEGGNNDOILVLAB-RBZQAINGSA-N
MW454.84 g/mol
LogP7.29
Rot. Bonds13

About (4S,6R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-tri(propan-2-yl)silyloxydec-1-en-9-yn-4-ol

(4S,6R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-tri(propan-2-yl)silyloxydec-1-en-9-yn-4-ol (PubChem CID 11155269) has the molecular formula C25H50O3Si2 and a molecular weight of 454.84 g/mol. Its IUPAC name is (4S,6R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-tri(propan-2-yl)silyloxydec-1-en-9-yn-4-ol.

Molecular Properties

Compound Name(4S,6R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-tri(propan-2-yl)silyloxydec-1-en-9-yn-4-ol
PubChem CID11155269
Molecular FormulaC25H50O3Si2
Molecular Weight454.84 g/mol
Exact Mass454.33
IUPAC Name(4S,6R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-tri(propan-2-yl)silyloxydec-1-en-9-yn-4-ol
SMILESC#C[C@H](C[C@@H](C[C@@H](O)CC=C)O[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H50O3Si2/c1-14-16-22(26)17-24(27-29(12,13)25(9,10)11)18-23(15-2)28-30(19(3)4,20(5)6)21(7)8/h2,14,19-24,26H,1,16-18H2,3-13H3/t22-,23+,24+/m0/s1
InChIKeyAEGGNNDOILVLAB-RBZQAINGSA-N
XLogP7.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.84
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,6R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-tri(propan-2-yl)silyloxydec-1-en-9-yn-4-ol?
The IUPAC name of (4S,6R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-tri(propan-2-yl)silyloxydec-1-en-9-yn-4-ol (CID 11155269) is (4S,6R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-tri(propan-2-yl)silyloxydec-1-en-9-yn-4-ol.
What is the SMILES notation for (4S,6R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-tri(propan-2-yl)silyloxydec-1-en-9-yn-4-ol?
The canonical SMILES for (4S,6R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-tri(propan-2-yl)silyloxydec-1-en-9-yn-4-ol is C#C[C@H](C[C@@H](C[C@@H](O)CC=C)O[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (4S,6R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-tri(propan-2-yl)silyloxydec-1-en-9-yn-4-ol?
The InChIKey is AEGGNNDOILVLAB-RBZQAINGSA-N. The full InChI is InChI=1S/C25H50O3Si2/c1-14-16-22(26)17-24(27-29(12,13)25(9,10)11)18-23(15-2)28-30(19(3)4,20(5)6)21(7)8/h2,14,19-24,26H,1,16-18H2,3-13H3/t22-,23+,24+/m0/s1.
What are the key properties of (4S,6R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-tri(propan-2-yl)silyloxydec-1-en-9-yn-4-ol?
(4S,6R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-tri(propan-2-yl)silyloxydec-1-en-9-yn-4-ol has a molecular weight of 454.84 g/mol, XLogP of 7.29, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-tri(propan-2-yl)silyloxydec-1-en-9-yn-4-ol is sourced from PubChem (CID 11155269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).