(3Z,5S,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]octa-3,7-dien-1-ol

C20H42O3Si2 — CID 59806077

IUPAC(3Z,5S,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]octa-3,7-dien-1-ol
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C\CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O3Si2/c1-12-17(22-24(8,9)19(2,3)4)18(15-13-14-16-21)23-25(10,11)20(5,6)7/h12-13,15,17-18,21H,1,14,16H2,2-11H3/b15-13-/t17-,18+/m1/s1
InChIKeyHXXYIIZUAJZEKD-XRSVIKRQSA-N
MW386.73 g/mol
LogP5.89
Rot. Bonds9

About (3Z,5S,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]octa-3,7-dien-1-ol

(3Z,5S,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]octa-3,7-dien-1-ol (PubChem CID 59806077) has the molecular formula C20H42O3Si2 and a molecular weight of 386.73 g/mol. Its IUPAC name is (3Z,5S,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]octa-3,7-dien-1-ol.

Molecular Properties

Compound Name(3Z,5S,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]octa-3,7-dien-1-ol
PubChem CID59806077
Molecular FormulaC20H42O3Si2
Molecular Weight386.73 g/mol
Exact Mass386.27
IUPAC Name(3Z,5S,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]octa-3,7-dien-1-ol
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C\CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O3Si2/c1-12-17(22-24(8,9)19(2,3)4)18(15-13-14-16-21)23-25(10,11)20(5,6)7/h12-13,15,17-18,21H,1,14,16H2,2-11H3/b15-13-/t17-,18+/m1/s1
InChIKeyHXXYIIZUAJZEKD-XRSVIKRQSA-N
XLogP5.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.73
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3Z,5S,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]octa-3,7-dien-1-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 (3Z,5S,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]octa-3,7-dien-1-ol?
The IUPAC name of (3Z,5S,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]octa-3,7-dien-1-ol (CID 59806077) is (3Z,5S,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]octa-3,7-dien-1-ol.
What is the SMILES notation for (3Z,5S,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]octa-3,7-dien-1-ol?
The canonical SMILES for (3Z,5S,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]octa-3,7-dien-1-ol is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C\CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3Z,5S,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]octa-3,7-dien-1-ol?
The InChIKey is HXXYIIZUAJZEKD-XRSVIKRQSA-N. The full InChI is InChI=1S/C20H42O3Si2/c1-12-17(22-24(8,9)19(2,3)4)18(15-13-14-16-21)23-25(10,11)20(5,6)7/h12-13,15,17-18,21H,1,14,16H2,2-11H3/b15-13-/t17-,18+/m1/s1.
What are the key properties of (3Z,5S,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]octa-3,7-dien-1-ol?
(3Z,5S,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]octa-3,7-dien-1-ol has a molecular weight of 386.73 g/mol, XLogP of 5.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5S,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]octa-3,7-dien-1-ol is sourced from PubChem (CID 59806077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).