(3S,4S,5Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]octa-1,5-dien-3-ol

C20H42O3Si2 — CID 59806034

IUPAC(3S,4S,5Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]octa-1,5-dien-3-ol
SMILESC=C[C@H](O)[C@H](/C=C\CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O3Si2/c1-12-17(21)18(23-25(10,11)20(5,6)7)15-13-14-16-22-24(8,9)19(2,3)4/h12-13,15,17-18,21H,1,14,16H2,2-11H3/b15-13-/t17-,18-/m0/s1
InChIKeyUIHHWFDYLGIWGM-DIKOQVDISA-N
MW386.73 g/mol
LogP5.89
Rot. Bonds9

About (3S,4S,5Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]octa-1,5-dien-3-ol

(3S,4S,5Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]octa-1,5-dien-3-ol (PubChem CID 59806034) has the molecular formula C20H42O3Si2 and a molecular weight of 386.73 g/mol. Its IUPAC name is (3S,4S,5Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]octa-1,5-dien-3-ol.

Molecular Properties

Compound Name(3S,4S,5Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]octa-1,5-dien-3-ol
PubChem CID59806034
Molecular FormulaC20H42O3Si2
Molecular Weight386.73 g/mol
Exact Mass386.27
IUPAC Name(3S,4S,5Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]octa-1,5-dien-3-ol
SMILESC=C[C@H](O)[C@H](/C=C\CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O3Si2/c1-12-17(21)18(23-25(10,11)20(5,6)7)15-13-14-16-22-24(8,9)19(2,3)4/h12-13,15,17-18,21H,1,14,16H2,2-11H3/b15-13-/t17-,18-/m0/s1
InChIKeyUIHHWFDYLGIWGM-DIKOQVDISA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S,4S,5Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]octa-1,5-dien-3-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 (3S,4S,5Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]octa-1,5-dien-3-ol?
The IUPAC name of (3S,4S,5Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]octa-1,5-dien-3-ol (CID 59806034) is (3S,4S,5Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]octa-1,5-dien-3-ol.
What is the SMILES notation for (3S,4S,5Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]octa-1,5-dien-3-ol?
The canonical SMILES for (3S,4S,5Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]octa-1,5-dien-3-ol is C=C[C@H](O)[C@H](/C=C\CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4S,5Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]octa-1,5-dien-3-ol?
The InChIKey is UIHHWFDYLGIWGM-DIKOQVDISA-N. The full InChI is InChI=1S/C20H42O3Si2/c1-12-17(21)18(23-25(10,11)20(5,6)7)15-13-14-16-22-24(8,9)19(2,3)4/h12-13,15,17-18,21H,1,14,16H2,2-11H3/b15-13-/t17-,18-/m0/s1.
What are the key properties of (3S,4S,5Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]octa-1,5-dien-3-ol?
(3S,4S,5Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]octa-1,5-dien-3-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 (3S,4S,5Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]octa-1,5-dien-3-ol is sourced from PubChem (CID 59806034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).