(3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol

C26H38O3Si — CID 10788581

IUPAC(3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol
SMILESC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H38O3Si/c1-7-20(2)25(28)21(3)24(27)18-19-29-30(26(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h7-17,20-21,24-25,27-28H,1,18-19H2,2-6H3/t20-,21+,24+,25-/m1/s1
InChIKeyKUMFQTUXHNEWJF-HWIPXOPOSA-N
MW426.67 g/mol
LogP4.13
Rot. Bonds10

About (3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol

(3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol (PubChem CID 10788581) has the molecular formula C26H38O3Si and a molecular weight of 426.67 g/mol. Its IUPAC name is (3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol.

Molecular Properties

Compound Name(3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol
PubChem CID10788581
Molecular FormulaC26H38O3Si
Molecular Weight426.67 g/mol
Exact Mass426.26
IUPAC Name(3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol
SMILESC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H38O3Si/c1-7-20(2)25(28)21(3)24(27)18-19-29-30(26(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h7-17,20-21,24-25,27-28H,1,18-19H2,2-6H3/t20-,21+,24+,25-/m1/s1
InChIKeyKUMFQTUXHNEWJF-HWIPXOPOSA-N
XLogP4.13
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.67
LogP ≤ 54.13
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'}

Analyze (3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol with MolForge

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Related Compounds

(2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 162397807
(2R,3R,4R,5S,6R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethyloct-7-ene-3,5-diol
CID 10622991
(2R,3S,4S,5S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyloct-7-ene-3,5-diol
CID 11133705
(E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol
CID 10026512
(4S,5E,7S)-9-[tert-butyl(diphenyl)silyl]oxy-5,7-dimethylnona-1,5-dien-4-ol
CID 71551406
(3R,4R,5S,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-3,5,7-trimethyloct-1-en-4-ol
CID 101106261
(3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol
CID 174143208
12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol
CID 168962199
(3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol
CID 23624368
(2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol
CID 11784542
(4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-6-methylhept-1-en-4-ol
CID 132510490
2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol
CID 69285405

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol?
The IUPAC name of (3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol (CID 10788581) is (3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol.
What is the SMILES notation for (3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol?
The canonical SMILES for (3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol is C=C[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol?
The InChIKey is KUMFQTUXHNEWJF-HWIPXOPOSA-N. The full InChI is InChI=1S/C26H38O3Si/c1-7-20(2)25(28)21(3)24(27)18-19-29-30(26(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h7-17,20-21,24-25,27-28H,1,18-19H2,2-6H3/t20-,21+,24+,25-/m1/s1.
What are the key properties of (3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol?
(3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol has a molecular weight of 426.67 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol is sourced from PubChem (CID 10788581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).