(E,5R,6R)-5-[tert-butyl(diphenyl)silyl]oxy-8-phenylmethoxyoct-2-ene-1,6-diol

C31H40O4Si — CID 10553560

IUPAC(E,5R,6R)-5-[tert-butyl(diphenyl)silyl]oxy-8-phenylmethoxyoct-2-ene-1,6-diol
SMILESCC(C)(C)[Si](O[C@H](C/C=C/CO)[C@H](O)CCOCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H40O4Si/c1-31(2,3)36(27-17-9-5-10-18-27,28-19-11-6-12-20-28)35-30(21-13-14-23-32)29(33)22-24-34-25-26-15-7-4-8-16-26/h4-20,29-30,32-33H,21-25H2,1-3H3/b14-13+/t29-,30-/m1/s1
InChIKeyBZONOPADFCKPSQ-QAZGCBNDSA-N
MW504.74 g/mol
LogP4.84
Rot. Bonds13

About (E,5R,6R)-5-[tert-butyl(diphenyl)silyl]oxy-8-phenylmethoxyoct-2-ene-1,6-diol

(E,5R,6R)-5-[tert-butyl(diphenyl)silyl]oxy-8-phenylmethoxyoct-2-ene-1,6-diol (PubChem CID 10553560) has the molecular formula C31H40O4Si and a molecular weight of 504.74 g/mol. Its IUPAC name is (E,5R,6R)-5-[tert-butyl(diphenyl)silyl]oxy-8-phenylmethoxyoct-2-ene-1,6-diol.

Molecular Properties

Compound Name(E,5R,6R)-5-[tert-butyl(diphenyl)silyl]oxy-8-phenylmethoxyoct-2-ene-1,6-diol
PubChem CID10553560
Molecular FormulaC31H40O4Si
Molecular Weight504.74 g/mol
Exact Mass504.27
IUPAC Name(E,5R,6R)-5-[tert-butyl(diphenyl)silyl]oxy-8-phenylmethoxyoct-2-ene-1,6-diol
SMILESCC(C)(C)[Si](O[C@H](C/C=C/CO)[C@H](O)CCOCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H40O4Si/c1-31(2,3)36(27-17-9-5-10-18-27,28-19-11-6-12-20-28)35-30(21-13-14-23-32)29(33)22-24-34-25-26-15-7-4-8-16-26/h4-20,29-30,32-33H,21-25H2,1-3H3/b14-13+/t29-,30-/m1/s1
InChIKeyBZONOPADFCKPSQ-QAZGCBNDSA-N
XLogP4.84
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.74
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (E,5R,6R)-5-[tert-butyl(diphenyl)silyl]oxy-8-phenylmethoxyoct-2-ene-1,6-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S,4S,5R)-1,2,5,6-tetrakis(benzyloxy)hexane-3,4-diol
CID 3011252
1,3-Bis(benzyloxy)propan-2-ol
CID 247614
(2S,3R,4R,5S)-1,2,5,6-tetrabenzyloxyhexane-3,4-diol
CID 3011288
(2R,3R,4S,5S)-1,2,5,6-tetrabenzyloxyhexane-3,4-diol
CID 3011289
(2R,3R,4S,5R)-1,2,5,6-tetrabenzyloxyhexane-3,4-diol
CID 3011291
(2R,3S,4S,5R)-2,5-bis(benzyloxy)-1,6-diphenylhexane-3,4-diol
CID 3011293
(2R,3S,5S)-1,2,5,6-tetrabenzyloxyhexan-3-ol
CID 3011294
(2S,3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-ol
CID 10863701
(2S,3S,4S,5R)-1,2,5,6-tetrabenzyloxyhexane-3,4-diol
CID 3011290
(2S,3S,4R,5R,6R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 44414385
(2S,3S,4R,5R,6R)-2-ethyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 44414628
(2S,3S,4R,5R,6R)-2-(2-methylpropyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 44414641

Frequently Asked Questions

What is the IUPAC name of (E,5R,6R)-5-[tert-butyl(diphenyl)silyl]oxy-8-phenylmethoxyoct-2-ene-1,6-diol?
The IUPAC name of (E,5R,6R)-5-[tert-butyl(diphenyl)silyl]oxy-8-phenylmethoxyoct-2-ene-1,6-diol (CID 10553560) is (E,5R,6R)-5-[tert-butyl(diphenyl)silyl]oxy-8-phenylmethoxyoct-2-ene-1,6-diol.
What is the SMILES notation for (E,5R,6R)-5-[tert-butyl(diphenyl)silyl]oxy-8-phenylmethoxyoct-2-ene-1,6-diol?
The canonical SMILES for (E,5R,6R)-5-[tert-butyl(diphenyl)silyl]oxy-8-phenylmethoxyoct-2-ene-1,6-diol is CC(C)(C)[Si](O[C@H](C/C=C/CO)[C@H](O)CCOCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E,5R,6R)-5-[tert-butyl(diphenyl)silyl]oxy-8-phenylmethoxyoct-2-ene-1,6-diol?
The InChIKey is BZONOPADFCKPSQ-QAZGCBNDSA-N. The full InChI is InChI=1S/C31H40O4Si/c1-31(2,3)36(27-17-9-5-10-18-27,28-19-11-6-12-20-28)35-30(21-13-14-23-32)29(33)22-24-34-25-26-15-7-4-8-16-26/h4-20,29-30,32-33H,21-25H2,1-3H3/b14-13+/t29-,30-/m1/s1.
What are the key properties of (E,5R,6R)-5-[tert-butyl(diphenyl)silyl]oxy-8-phenylmethoxyoct-2-ene-1,6-diol?
(E,5R,6R)-5-[tert-butyl(diphenyl)silyl]oxy-8-phenylmethoxyoct-2-ene-1,6-diol has a molecular weight of 504.74 g/mol, XLogP of 4.84, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R,6R)-5-[tert-butyl(diphenyl)silyl]oxy-8-phenylmethoxyoct-2-ene-1,6-diol is sourced from PubChem (CID 10553560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).