(2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-prop-2-enyloct-7-yn-1-ol

C19H36O4Si — CID 11222031

IUPAC(2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-prop-2-enyloct-7-yn-1-ol
SMILESC#CC[C@H](C[C@@H](OCOC)[C@@H](CO)CC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O4Si/c1-9-11-16(14-20)18(22-15-21-6)13-17(12-10-2)23-24(7,8)19(3,4)5/h2,9,16-18,20H,1,11-15H2,3-8H3/t16-,17-,18-/m1/s1
InChIKeyNZDXMFFGPKDSNE-KZNAEPCWSA-N
MW356.58 g/mol
LogP3.96
Rot. Bonds12

About (2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-prop-2-enyloct-7-yn-1-ol

(2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-prop-2-enyloct-7-yn-1-ol (PubChem CID 11222031) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is (2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-prop-2-enyloct-7-yn-1-ol.

Molecular Properties

Compound Name(2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-prop-2-enyloct-7-yn-1-ol
PubChem CID11222031
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Name(2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-prop-2-enyloct-7-yn-1-ol
SMILESC#CC[C@H](C[C@@H](OCOC)[C@@H](CO)CC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O4Si/c1-9-11-16(14-20)18(22-15-21-6)13-17(12-10-2)23-24(7,8)19(3,4)5/h2,9,16-18,20H,1,11-15H2,3-8H3/t16-,17-,18-/m1/s1
InChIKeyNZDXMFFGPKDSNE-KZNAEPCWSA-N
XLogP3.96
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 53.96
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 (2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-prop-2-enyloct-7-yn-1-ol?
The IUPAC name of (2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-prop-2-enyloct-7-yn-1-ol (CID 11222031) is (2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-prop-2-enyloct-7-yn-1-ol.
What is the SMILES notation for (2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-prop-2-enyloct-7-yn-1-ol?
The canonical SMILES for (2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-prop-2-enyloct-7-yn-1-ol is C#CC[C@H](C[C@@H](OCOC)[C@@H](CO)CC=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-prop-2-enyloct-7-yn-1-ol?
The InChIKey is NZDXMFFGPKDSNE-KZNAEPCWSA-N. The full InChI is InChI=1S/C19H36O4Si/c1-9-11-16(14-20)18(22-15-21-6)13-17(12-10-2)23-24(7,8)19(3,4)5/h2,9,16-18,20H,1,11-15H2,3-8H3/t16-,17-,18-/m1/s1.
What are the key properties of (2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-prop-2-enyloct-7-yn-1-ol?
(2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-prop-2-enyloct-7-yn-1-ol has a molecular weight of 356.58 g/mol, XLogP of 3.96, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-prop-2-enyloct-7-yn-1-ol is sourced from PubChem (CID 11222031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).