(E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylhex-4-en-1-ol

C28H34OSi — CID 11058768

IUPAC(E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylhex-4-en-1-ol
SMILESC/C=C/[C@H](C[C@@H](O)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H34OSi/c1-5-15-26(22-27(29)23-16-9-6-10-17-23)30(28(2,3)4,24-18-11-7-12-19-24)25-20-13-8-14-21-25/h5-21,26-27,29H,22H2,1-4H3/b15-5+/t26-,27-/m1/s1
InChIKeyCGMNBWVDNYCVDG-RMGZSPTMSA-N
MW414.67 g/mol
LogP6.12
Rot. Bonds7

About (E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylhex-4-en-1-ol

(E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylhex-4-en-1-ol (PubChem CID 11058768) has the molecular formula C28H34OSi and a molecular weight of 414.67 g/mol. Its IUPAC name is (E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylhex-4-en-1-ol.

Molecular Properties

Compound Name(E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylhex-4-en-1-ol
PubChem CID11058768
Molecular FormulaC28H34OSi
Molecular Weight414.67 g/mol
Exact Mass414.24
IUPAC Name(E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylhex-4-en-1-ol
SMILESC/C=C/[C@H](C[C@@H](O)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H34OSi/c1-5-15-26(22-27(29)23-16-9-6-10-17-23)30(28(2,3)4,24-18-11-7-12-19-24)25-20-13-8-14-21-25/h5-21,26-27,29H,22H2,1-4H3/b15-5+/t26-,27-/m1/s1
InChIKeyCGMNBWVDNYCVDG-RMGZSPTMSA-N
XLogP6.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.67
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(1S,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylpent-4-en-1-ol
CID 135746136
(E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-4-methyl-1-phenylhex-4-en-1-ol
CID 134904760
[tert-butyl(diphenyl)silyl]methanediol
CID 166018796
4,4-dimethyl-1-phenylpentane-1,3-diol
CID 14869149
dimethyl-[(Z)-6-methylhept-2-en-4-yl]-phenylsilane
CID 15353782
bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029
(1R)-3,3-dimethoxy-1-phenylpropan-1-ol
CID 11687059
tetrakis(1,3-diphenylpropane-1,3-diol);titanium;dihydrate
CID 168793676
benzhydryl-[(E)-1-[dimethyl(phenyl)silyl]pent-3-en-2-yl]-dimethylsilane
CID 11212531
[(E,3S)-3-[dimethyl(phenyl)silyl]hex-4-enyl] 2-hydroxy-2-phenylacetate
CID 10361701
(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2-methylideneoct-6-enal
CID 5375585
[tert-butyl(diphenyl)silyl]-(2-methylphenyl)methanol
CID 164686352

Frequently Asked Questions

What is the IUPAC name of (E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylhex-4-en-1-ol?
The IUPAC name of (E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylhex-4-en-1-ol (CID 11058768) is (E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylhex-4-en-1-ol.
What is the SMILES notation for (E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylhex-4-en-1-ol?
The canonical SMILES for (E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylhex-4-en-1-ol is C/C=C/[C@H](C[C@@H](O)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylhex-4-en-1-ol?
The InChIKey is CGMNBWVDNYCVDG-RMGZSPTMSA-N. The full InChI is InChI=1S/C28H34OSi/c1-5-15-26(22-27(29)23-16-9-6-10-17-23)30(28(2,3)4,24-18-11-7-12-19-24)25-20-13-8-14-21-25/h5-21,26-27,29H,22H2,1-4H3/b15-5+/t26-,27-/m1/s1.
What are the key properties of (E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylhex-4-en-1-ol?
(E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylhex-4-en-1-ol has a molecular weight of 414.67 g/mol, XLogP of 6.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylhex-4-en-1-ol is sourced from PubChem (CID 11058768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).