(4R,5R,6S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol

C20H40O4Si2 — CID 173091443

IUPAC(4R,5R,6S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol
SMILESC=CC(OCOC)[C@H](C(O[SiH](C)C)C(C)(C)C)[C@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C20H40O4Si2/c1-11-17(23-15-22-5)18(16(21)13-12-14-26(8,9)10)19(20(2,3)4)24-25(6)7/h11,16-19,21,25H,1,13,15H2,2-10H3/t16-,17?,18-,19?/m1/s1
InChIKeyQHAXDBJSVFNICS-TXQGORRRSA-N
MW400.71 g/mol
LogP3.82
Rot. Bonds10

About (4R,5R,6S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol

(4R,5R,6S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol (PubChem CID 173091443) has the molecular formula C20H40O4Si2 and a molecular weight of 400.71 g/mol. Its IUPAC name is (4R,5R,6S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol.

Molecular Properties

Compound Name(4R,5R,6S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol
PubChem CID173091443
Molecular FormulaC20H40O4Si2
Molecular Weight400.71 g/mol
Exact Mass400.25
IUPAC Name(4R,5R,6S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol
SMILESC=CC(OCOC)[C@H](C(O[SiH](C)C)C(C)(C)C)[C@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C20H40O4Si2/c1-11-17(23-15-22-5)18(16(21)13-12-14-26(8,9)10)19(20(2,3)4)24-25(6)7/h11,16-19,21,25H,1,13,15H2,2-10H3/t16-,17?,18-,19?/m1/s1
InChIKeyQHAXDBJSVFNICS-TXQGORRRSA-N
XLogP3.82
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 ≤ 53.82
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'}

Analyze (4R,5R,6S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5R,6S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol?
The IUPAC name of (4R,5R,6S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol (CID 173091443) is (4R,5R,6S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol.
What is the SMILES notation for (4R,5R,6S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol?
The canonical SMILES for (4R,5R,6S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol is C=CC(OCOC)[C@H](C(O[SiH](C)C)C(C)(C)C)[C@H](O)CC#C[Si](C)(C)C.
What is the InChIKey of (4R,5R,6S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol?
The InChIKey is QHAXDBJSVFNICS-TXQGORRRSA-N. The full InChI is InChI=1S/C20H40O4Si2/c1-11-17(23-15-22-5)18(16(21)13-12-14-26(8,9)10)19(20(2,3)4)24-25(6)7/h11,16-19,21,25H,1,13,15H2,2-10H3/t16-,17?,18-,19?/m1/s1.
What are the key properties of (4R,5R,6S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol?
(4R,5R,6S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol has a molecular weight of 400.71 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol is sourced from PubChem (CID 173091443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).