(4R,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol

C20H40O4Si2 — CID 11825549

IUPAC(4R,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol
SMILESC=C[C@@H](OCOC)[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C20H40O4Si2/c1-11-19(23-16-22-5)17(15-24-26(9,10)20(2,3)4)18(21)13-12-14-25(6,7)8/h11,17-19,21H,1,13,15-16H2,2-10H3/t17-,18+,19+/m0/s1
InChIKeyHBUOWDVWIJGIIN-IPMKNSEASA-N
MW400.71 g/mol
LogP4.43
Rot. Bonds10

About (4R,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol

(4R,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol (PubChem CID 11825549) has the molecular formula C20H40O4Si2 and a molecular weight of 400.71 g/mol. Its IUPAC name is (4R,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol.

Molecular Properties

Compound Name(4R,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol
PubChem CID11825549
Molecular FormulaC20H40O4Si2
Molecular Weight400.71 g/mol
Exact Mass400.25
IUPAC Name(4R,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol
SMILESC=C[C@@H](OCOC)[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C20H40O4Si2/c1-11-19(23-16-22-5)17(15-24-26(9,10)20(2,3)4)18(21)13-12-14-25(6,7)8/h11,17-19,21H,1,13,15-16H2,2-10H3/t17-,18+,19+/m0/s1
InChIKeyHBUOWDVWIJGIIN-IPMKNSEASA-N
XLogP4.43
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.71
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 (4R,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol?
The IUPAC name of (4R,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol (CID 11825549) is (4R,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol.
What is the SMILES notation for (4R,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol?
The canonical SMILES for (4R,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol is C=C[C@@H](OCOC)[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)CC#C[Si](C)(C)C.
What is the InChIKey of (4R,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol?
The InChIKey is HBUOWDVWIJGIIN-IPMKNSEASA-N. The full InChI is InChI=1S/C20H40O4Si2/c1-11-19(23-16-22-5)17(15-24-26(9,10)20(2,3)4)18(21)13-12-14-25(6,7)8/h11,17-19,21H,1,13,15-16H2,2-10H3/t17-,18+,19+/m0/s1.
What are the key properties of (4R,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol?
(4R,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol has a molecular weight of 400.71 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol is sourced from PubChem (CID 11825549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).