(E,4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-(4H-1,3-dioxin-4-yl)-5-methyloct-1-en-4-ol

C19H36O4Si — CID 134875186

IUPAC(E,4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-(4H-1,3-dioxin-4-yl)-5-methyloct-1-en-4-ol
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O)C/C=C/C1C=COCO1
InChIInChI=1S/C19H36O4Si/c1-8-18(23-24(6,7)19(3,4)5)15(2)17(20)11-9-10-16-12-13-21-14-22-16/h9-10,12-13,15-18,20H,8,11,14H2,1-7H3/b10-9+/t15-,16?,17+,18-/m0/s1
InChIKeyZLPSMRXLVOAKEE-MLAHGFFPSA-N
MW356.58 g/mol
LogP4.62
Rot. Bonds8

About (E,4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-(4H-1,3-dioxin-4-yl)-5-methyloct-1-en-4-ol

(E,4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-(4H-1,3-dioxin-4-yl)-5-methyloct-1-en-4-ol (PubChem CID 134875186) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is (E,4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-(4H-1,3-dioxin-4-yl)-5-methyloct-1-en-4-ol.

Molecular Properties

Compound Name(E,4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-(4H-1,3-dioxin-4-yl)-5-methyloct-1-en-4-ol
PubChem CID134875186
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Name(E,4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-(4H-1,3-dioxin-4-yl)-5-methyloct-1-en-4-ol
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O)C/C=C/C1C=COCO1
InChIInChI=1S/C19H36O4Si/c1-8-18(23-24(6,7)19(3,4)5)15(2)17(20)11-9-10-16-12-13-21-14-22-16/h9-10,12-13,15-18,20H,8,11,14H2,1-7H3/b10-9+/t15-,16?,17+,18-/m0/s1
InChIKeyZLPSMRXLVOAKEE-MLAHGFFPSA-N
XLogP4.62
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.62
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 (E,4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-(4H-1,3-dioxin-4-yl)-5-methyloct-1-en-4-ol?
The IUPAC name of (E,4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-(4H-1,3-dioxin-4-yl)-5-methyloct-1-en-4-ol (CID 134875186) is (E,4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-(4H-1,3-dioxin-4-yl)-5-methyloct-1-en-4-ol.
What is the SMILES notation for (E,4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-(4H-1,3-dioxin-4-yl)-5-methyloct-1-en-4-ol?
The canonical SMILES for (E,4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-(4H-1,3-dioxin-4-yl)-5-methyloct-1-en-4-ol is CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O)C/C=C/C1C=COCO1.
What is the InChIKey of (E,4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-(4H-1,3-dioxin-4-yl)-5-methyloct-1-en-4-ol?
The InChIKey is ZLPSMRXLVOAKEE-MLAHGFFPSA-N. The full InChI is InChI=1S/C19H36O4Si/c1-8-18(23-24(6,7)19(3,4)5)15(2)17(20)11-9-10-16-12-13-21-14-22-16/h9-10,12-13,15-18,20H,8,11,14H2,1-7H3/b10-9+/t15-,16?,17+,18-/m0/s1.
What are the key properties of (E,4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-(4H-1,3-dioxin-4-yl)-5-methyloct-1-en-4-ol?
(E,4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-(4H-1,3-dioxin-4-yl)-5-methyloct-1-en-4-ol has a molecular weight of 356.58 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-(4H-1,3-dioxin-4-yl)-5-methyloct-1-en-4-ol is sourced from PubChem (CID 134875186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).