(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol

C17H34O2Si2 — CID 11151554

IUPAC(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol
SMILESC=C[C@H](O)C[C@@H](CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si2/c1-10-15(18)14-16(12-11-13-20(5,6)7)19-21(8,9)17(2,3)4/h10,15-16,18H,1,12,14H2,2-9H3/t15-,16+/m0/s1
InChIKeyWPMGCIODWSNQHI-JKSUJKDBSA-N
MW326.63 g/mol
LogP4.58
Rot. Bonds6

About (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol

(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol (PubChem CID 11151554) has the molecular formula C17H34O2Si2 and a molecular weight of 326.63 g/mol. Its IUPAC name is (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol
PubChem CID11151554
Molecular FormulaC17H34O2Si2
Molecular Weight326.63 g/mol
Exact Mass326.21
IUPAC Name(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol
SMILESC=C[C@H](O)C[C@@H](CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si2/c1-10-15(18)14-16(12-11-13-20(5,6)7)19-21(8,9)17(2,3)4/h10,15-16,18H,1,12,14H2,2-9H3/t15-,16+/m0/s1
InChIKeyWPMGCIODWSNQHI-JKSUJKDBSA-N
XLogP4.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol?
The IUPAC name of (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol (CID 11151554) is (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol.
What is the SMILES notation for (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol?
The canonical SMILES for (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol is C=C[C@H](O)C[C@@H](CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol?
The InChIKey is WPMGCIODWSNQHI-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H34O2Si2/c1-10-15(18)14-16(12-11-13-20(5,6)7)19-21(8,9)17(2,3)4/h10,15-16,18H,1,12,14H2,2-9H3/t15-,16+/m0/s1.
What are the key properties of (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol?
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol has a molecular weight of 326.63 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol is sourced from PubChem (CID 11151554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).