4-benzyl-5-phenyl-2-triphenylsilylpent-1-en-3-ol

C36H34OSi — CID 12987153

IUPAC4-benzyl-5-phenyl-2-triphenylsilylpent-1-en-3-ol
SMILESC=C(C(O)C(Cc1ccccc1)Cc1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H34OSi/c1-29(36(37)32(27-30-17-7-2-8-18-30)28-31-19-9-3-10-20-31)38(33-21-11-4-12-22-33,34-23-13-5-14-24-34)35-25-15-6-16-26-35/h2-26,32,36-37H,1,27-28H2
InChIKeyBFBOJPDVCGFFHD-UHFFFAOYSA-N
MW510.75 g/mol
LogP5.71
Rot. Bonds10

About 4-benzyl-5-phenyl-2-triphenylsilylpent-1-en-3-ol

4-benzyl-5-phenyl-2-triphenylsilylpent-1-en-3-ol (PubChem CID 12987153) has the molecular formula C36H34OSi and a molecular weight of 510.75 g/mol. Its IUPAC name is 4-benzyl-5-phenyl-2-triphenylsilylpent-1-en-3-ol.

Molecular Properties

Compound Name4-benzyl-5-phenyl-2-triphenylsilylpent-1-en-3-ol
PubChem CID12987153
Molecular FormulaC36H34OSi
Molecular Weight510.75 g/mol
Exact Mass510.24
IUPAC Name4-benzyl-5-phenyl-2-triphenylsilylpent-1-en-3-ol
SMILESC=C(C(O)C(Cc1ccccc1)Cc1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H34OSi/c1-29(36(37)32(27-30-17-7-2-8-18-30)28-31-19-9-3-10-20-31)38(33-21-11-4-12-22-33,34-23-13-5-14-24-34)35-25-15-6-16-26-35/h2-26,32,36-37H,1,27-28H2
InChIKeyBFBOJPDVCGFFHD-UHFFFAOYSA-N
XLogP5.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.75
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(1-hydroxy-1-oxonio-3-phenylpropan-2-yl)oxidanium
CID 100992087
1-(4-phenylphenyl)-2-triphenylsilylprop-2-en-1-ol
CID 12987160
(2S,3S)-3-benzylbutane-1,2,4-triol
CID 13198346
1-benzylsulfinylethenyl(triphenyl)silane
CID 15200628
(3-bromo-2-methylidene-5-phenylpentyl)-dimethyl-phenylsilane
CID 86231004
(1R)-1,2-diphenylethanol
CID 1379022
(2-benzyl-3-methylbutyl)benzene
CID 22277918
(1R)-1-fluoro-2-phenylethanol
CID 163366132
1,6-diphenylhexane-2,5-diol
CID 15072586
triphenyl(1-triphenylsilylpropa-1,2-dienyl)silane
CID 518172
1,4,4-tris[dimethyl(phenyl)silyl]butan-1-ol
CID 10766972
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-phenyl-2-triphenylsilylpent-1-en-3-ol?
The IUPAC name of 4-benzyl-5-phenyl-2-triphenylsilylpent-1-en-3-ol (CID 12987153) is 4-benzyl-5-phenyl-2-triphenylsilylpent-1-en-3-ol.
What is the SMILES notation for 4-benzyl-5-phenyl-2-triphenylsilylpent-1-en-3-ol?
The canonical SMILES for 4-benzyl-5-phenyl-2-triphenylsilylpent-1-en-3-ol is C=C(C(O)C(Cc1ccccc1)Cc1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-benzyl-5-phenyl-2-triphenylsilylpent-1-en-3-ol?
The InChIKey is BFBOJPDVCGFFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34OSi/c1-29(36(37)32(27-30-17-7-2-8-18-30)28-31-19-9-3-10-20-31)38(33-21-11-4-12-22-33,34-23-13-5-14-24-34)35-25-15-6-16-26-35/h2-26,32,36-37H,1,27-28H2.
What are the key properties of 4-benzyl-5-phenyl-2-triphenylsilylpent-1-en-3-ol?
4-benzyl-5-phenyl-2-triphenylsilylpent-1-en-3-ol has a molecular weight of 510.75 g/mol, XLogP of 5.71, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-phenyl-2-triphenylsilylpent-1-en-3-ol is sourced from PubChem (CID 12987153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).