(2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyhex-5-en-1-ol

C19H42O4Si2 — CID 102045926

IUPAC(2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyhex-5-en-1-ol
SMILESC=C[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O4Si2/c1-13-15(21-8)17(23-25(11,12)19(5,6)7)16(14-20)22-24(9,10)18(2,3)4/h13,15-17,20H,1,14H2,2-12H3/t15-,16+,17+/m0/s1
InChIKeyTUHYJPONEMUBNE-GVDBMIGSSA-N
MW390.71 g/mol
LogP4.96
Rot. Bonds9

About (2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyhex-5-en-1-ol

(2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyhex-5-en-1-ol (PubChem CID 102045926) has the molecular formula C19H42O4Si2 and a molecular weight of 390.71 g/mol. Its IUPAC name is (2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyhex-5-en-1-ol.

Molecular Properties

Compound Name(2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyhex-5-en-1-ol
PubChem CID102045926
Molecular FormulaC19H42O4Si2
Molecular Weight390.71 g/mol
Exact Mass390.26
IUPAC Name(2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyhex-5-en-1-ol
SMILESC=C[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O4Si2/c1-13-15(21-8)17(23-25(11,12)19(5,6)7)16(14-20)22-24(9,10)18(2,3)4/h13,15-17,20H,1,14H2,2-12H3/t15-,16+,17+/m0/s1
InChIKeyTUHYJPONEMUBNE-GVDBMIGSSA-N
XLogP4.96
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.71
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyhex-5-en-1-ol?
The IUPAC name of (2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyhex-5-en-1-ol (CID 102045926) is (2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyhex-5-en-1-ol.
What is the SMILES notation for (2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyhex-5-en-1-ol?
The canonical SMILES for (2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyhex-5-en-1-ol is C=C[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyhex-5-en-1-ol?
The InChIKey is TUHYJPONEMUBNE-GVDBMIGSSA-N. The full InChI is InChI=1S/C19H42O4Si2/c1-13-15(21-8)17(23-25(11,12)19(5,6)7)16(14-20)22-24(9,10)18(2,3)4/h13,15-17,20H,1,14H2,2-12H3/t15-,16+,17+/m0/s1.
What are the key properties of (2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyhex-5-en-1-ol?
(2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyhex-5-en-1-ol has a molecular weight of 390.71 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyhex-5-en-1-ol is sourced from PubChem (CID 102045926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).