6-diphenylsilyloxy-7,7-dimethyloct-1-ene-4,5-diol

C22H30O3Si — CID 173316919

IUPAC6-diphenylsilyloxy-7,7-dimethyloct-1-ene-4,5-diol
SMILESC=CCC(O)C(O)C(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O3Si/c1-5-12-19(23)20(24)21(22(2,3)4)25-26(17-13-8-6-9-14-17)18-15-10-7-11-16-18/h5-11,13-16,19-21,23-24,26H,1,12H2,2-4H3
InChIKeyNTFITGLDMVKWPM-UHFFFAOYSA-N
MW370.57 g/mol
LogP2.25
Rot. Bonds8

About 6-diphenylsilyloxy-7,7-dimethyloct-1-ene-4,5-diol

6-diphenylsilyloxy-7,7-dimethyloct-1-ene-4,5-diol (PubChem CID 173316919) has the molecular formula C22H30O3Si and a molecular weight of 370.57 g/mol. Its IUPAC name is 6-diphenylsilyloxy-7,7-dimethyloct-1-ene-4,5-diol.

Molecular Properties

Compound Name6-diphenylsilyloxy-7,7-dimethyloct-1-ene-4,5-diol
PubChem CID173316919
Molecular FormulaC22H30O3Si
Molecular Weight370.57 g/mol
Exact Mass370.20
IUPAC Name6-diphenylsilyloxy-7,7-dimethyloct-1-ene-4,5-diol
SMILESC=CCC(O)C(O)C(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O3Si/c1-5-12-19(23)20(24)21(22(2,3)4)25-26(17-13-8-6-9-14-17)18-15-10-7-11-16-18/h5-11,13-16,19-21,23-24,26H,1,12H2,2-4H3
InChIKeyNTFITGLDMVKWPM-UHFFFAOYSA-N
XLogP2.25
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.57
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(4,6-dichloro-2-methylpyrimidin-5-yl)-2,2-dimethylhept-6-en-3-yl]oxy-diphenylsilane
CID 173226860
(2S)-1,1-diphenylpent-4-en-2-ol
CID 11390776
(4S)-3-diphenylsilyloxy-2,2,6-trimethylheptan-4-amine;trimethylalumane
CID 173186725
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
2-diphenylsilyloxy-3,3-dimethylbutanal
CID 173363396
2,2-dimethylhexan-3-yloxy(diphenyl)silane
CID 173016744
tert-butyl N-[(3S)-4-diphenylsilyloxy-1-hydroxy-5,5-dimethylhexan-3-yl]carbamate
CID 173184420
[(2S,3S)-3-hydroxyhex-5-en-2-yl] benzoate
CID 134930488
(2R,3R)-1-phenylhex-5-ene-2,3-diol
CID 15260077
tert-butyl N-(3-hydroxy-1,1-diphenylhex-5-en-2-yl)carbamate
CID 19420331
(2R,3S,4S,5S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyloct-7-ene-3,5-diol
CID 11133705
[(3S,4S)-2,2-dimethyl-4-[methyl(phenyl)carbamoyl]hept-6-en-3-yl] acetate
CID 162413063

Frequently Asked Questions

What is the IUPAC name of 6-diphenylsilyloxy-7,7-dimethyloct-1-ene-4,5-diol?
The IUPAC name of 6-diphenylsilyloxy-7,7-dimethyloct-1-ene-4,5-diol (CID 173316919) is 6-diphenylsilyloxy-7,7-dimethyloct-1-ene-4,5-diol.
What is the SMILES notation for 6-diphenylsilyloxy-7,7-dimethyloct-1-ene-4,5-diol?
The canonical SMILES for 6-diphenylsilyloxy-7,7-dimethyloct-1-ene-4,5-diol is C=CCC(O)C(O)C(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C.
What is the InChIKey of 6-diphenylsilyloxy-7,7-dimethyloct-1-ene-4,5-diol?
The InChIKey is NTFITGLDMVKWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O3Si/c1-5-12-19(23)20(24)21(22(2,3)4)25-26(17-13-8-6-9-14-17)18-15-10-7-11-16-18/h5-11,13-16,19-21,23-24,26H,1,12H2,2-4H3.
What are the key properties of 6-diphenylsilyloxy-7,7-dimethyloct-1-ene-4,5-diol?
6-diphenylsilyloxy-7,7-dimethyloct-1-ene-4,5-diol has a molecular weight of 370.57 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diphenylsilyloxy-7,7-dimethyloct-1-ene-4,5-diol is sourced from PubChem (CID 173316919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).