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

C27H32OSi — CID 135746136

IUPAC(1S,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylpent-4-en-1-ol
SMILESC=C[C@@H](C[C@H](O)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H32OSi/c1-5-23(21-26(28)22-15-9-6-10-16-22)29(27(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h5-20,23,26,28H,1,21H2,2-4H3/t23-,26-/m0/s1
InChIKeyITIFLYPFPVGRKH-OZXSUGGESA-N
MW400.64 g/mol
LogP5.73
Rot. Bonds7

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

(1S,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylpent-4-en-1-ol (PubChem CID 135746136) has the molecular formula C27H32OSi and a molecular weight of 400.64 g/mol. Its IUPAC name is (1S,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylpent-4-en-1-ol.

Molecular Properties

Compound Name(1S,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylpent-4-en-1-ol
PubChem CID135746136
Molecular FormulaC27H32OSi
Molecular Weight400.64 g/mol
Exact Mass400.22
IUPAC Name(1S,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylpent-4-en-1-ol
SMILESC=C[C@@H](C[C@H](O)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H32OSi/c1-5-23(21-26(28)22-15-9-6-10-16-22)29(27(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h5-20,23,26,28H,1,21H2,2-4H3/t23-,26-/m0/s1
InChIKeyITIFLYPFPVGRKH-OZXSUGGESA-N
XLogP5.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.64
LogP ≤ 55.73
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

(E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylhex-4-en-1-ol
CID 11058768
(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
bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029
(2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol
CID 134955377
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687
(1R)-3,3-dimethoxy-1-phenylpropan-1-ol
CID 11687059
tetrakis(1,3-diphenylpropane-1,3-diol);titanium;dihydrate
CID 168793676
(2S,4R)-4-[diphenyl(prop-2-enyl)silyl]hex-5-en-2-ol
CID 11834255
(3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol
CID 56971432
(1R,3R)-3-ethenyl-7-methyl-1-phenyloct-6-en-1-ol
CID 102254103

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylpent-4-en-1-ol?
The IUPAC name of (1S,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylpent-4-en-1-ol (CID 135746136) is (1S,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylpent-4-en-1-ol.
What is the SMILES notation for (1S,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylpent-4-en-1-ol?
The canonical SMILES for (1S,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylpent-4-en-1-ol is C=C[C@@H](C[C@H](O)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (1S,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylpent-4-en-1-ol?
The InChIKey is ITIFLYPFPVGRKH-OZXSUGGESA-N. The full InChI is InChI=1S/C27H32OSi/c1-5-23(21-26(28)22-15-9-6-10-16-22)29(27(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h5-20,23,26,28H,1,21H2,2-4H3/t23-,26-/m0/s1.
What are the key properties of (1S,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylpent-4-en-1-ol?
(1S,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylpent-4-en-1-ol has a molecular weight of 400.64 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylpent-4-en-1-ol is sourced from PubChem (CID 135746136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).