[(2E,4E,6R,7R,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethyldodeca-2,4,8,10-tetraenyl] acetate

C24H42O3Si — CID 71528233

IUPAC[(2E,4E,6R,7R,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethyldodeca-2,4,8,10-tetraenyl] acetate
SMILESC/C=C(C)/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(C)/C=C/COC(C)=O
InChIInChI=1S/C24H42O3Si/c1-12-18(2)16-20(4)23(27-28(10,11)24(7,8)9)21(5)17-19(3)14-13-15-26-22(6)25/h12-14,16-17,21,23H,15H2,1-11H3/b14-13+,18-12+,19-17+,20-16+/t21-,23+/m1/s1
InChIKeyDQGQOYGJJKJBKH-QYKRFABVSA-N
MW406.68 g/mol
LogP6.99
Rot. Bonds9

About [(2E,4E,6R,7R,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethyldodeca-2,4,8,10-tetraenyl] acetate

[(2E,4E,6R,7R,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethyldodeca-2,4,8,10-tetraenyl] acetate (PubChem CID 71528233) has the molecular formula C24H42O3Si and a molecular weight of 406.68 g/mol. Its IUPAC name is [(2E,4E,6R,7R,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethyldodeca-2,4,8,10-tetraenyl] acetate.

Molecular Properties

Compound Name[(2E,4E,6R,7R,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethyldodeca-2,4,8,10-tetraenyl] acetate
PubChem CID71528233
Molecular FormulaC24H42O3Si
Molecular Weight406.68 g/mol
Exact Mass406.29
IUPAC Name[(2E,4E,6R,7R,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethyldodeca-2,4,8,10-tetraenyl] acetate
SMILESC/C=C(C)/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(C)/C=C/COC(C)=O
InChIInChI=1S/C24H42O3Si/c1-12-18(2)16-20(4)23(27-28(10,11)24(7,8)9)21(5)17-19(3)14-13-15-26-22(6)25/h12-14,16-17,21,23H,15H2,1-11H3/b14-13+,18-12+,19-17+,20-16+/t21-,23+/m1/s1
InChIKeyDQGQOYGJJKJBKH-QYKRFABVSA-N
XLogP6.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.68
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2E,4E,6R,7R,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethyldodeca-2,4,8,10-tetraenyl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2E,4E,6R,7R,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethyldodeca-2,4,8,10-tetraenyl] acetate?
The IUPAC name of [(2E,4E,6R,7R,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethyldodeca-2,4,8,10-tetraenyl] acetate (CID 71528233) is [(2E,4E,6R,7R,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethyldodeca-2,4,8,10-tetraenyl] acetate.
What is the SMILES notation for [(2E,4E,6R,7R,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethyldodeca-2,4,8,10-tetraenyl] acetate?
The canonical SMILES for [(2E,4E,6R,7R,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethyldodeca-2,4,8,10-tetraenyl] acetate is C/C=C(C)/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(C)/C=C/COC(C)=O.
What is the InChIKey of [(2E,4E,6R,7R,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethyldodeca-2,4,8,10-tetraenyl] acetate?
The InChIKey is DQGQOYGJJKJBKH-QYKRFABVSA-N. The full InChI is InChI=1S/C24H42O3Si/c1-12-18(2)16-20(4)23(27-28(10,11)24(7,8)9)21(5)17-19(3)14-13-15-26-22(6)25/h12-14,16-17,21,23H,15H2,1-11H3/b14-13+,18-12+,19-17+,20-16+/t21-,23+/m1/s1.
What are the key properties of [(2E,4E,6R,7R,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethyldodeca-2,4,8,10-tetraenyl] acetate?
[(2E,4E,6R,7R,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethyldodeca-2,4,8,10-tetraenyl] acetate has a molecular weight of 406.68 g/mol, XLogP of 6.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E,6R,7R,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethyldodeca-2,4,8,10-tetraenyl] acetate is sourced from PubChem (CID 71528233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).