(2S,4R)-4-[diphenyl(prop-2-enyl)silyl]hex-5-en-2-ol

C21H26OSi — CID 11834255

IUPAC(2S,4R)-4-[diphenyl(prop-2-enyl)silyl]hex-5-en-2-ol
SMILESC=CC[Si](c1ccccc1)(c1ccccc1)[C@@H](C=C)C[C@H](C)O
InChIInChI=1S/C21H26OSi/c1-4-16-23(19(5-2)17-18(3)22,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h4-15,18-19,22H,1-2,16-17H2,3H3/t18-,19-/m0/s1
InChIKeyAGYGTZPYLJTSRO-OALUTQOASA-N
MW322.52 g/mol
LogP3.76
Rot. Bonds8

About (2S,4R)-4-[diphenyl(prop-2-enyl)silyl]hex-5-en-2-ol

(2S,4R)-4-[diphenyl(prop-2-enyl)silyl]hex-5-en-2-ol (PubChem CID 11834255) has the molecular formula C21H26OSi and a molecular weight of 322.52 g/mol. Its IUPAC name is (2S,4R)-4-[diphenyl(prop-2-enyl)silyl]hex-5-en-2-ol.

Molecular Properties

Compound Name(2S,4R)-4-[diphenyl(prop-2-enyl)silyl]hex-5-en-2-ol
PubChem CID11834255
Molecular FormulaC21H26OSi
Molecular Weight322.52 g/mol
Exact Mass322.18
IUPAC Name(2S,4R)-4-[diphenyl(prop-2-enyl)silyl]hex-5-en-2-ol
SMILESC=CC[Si](c1ccccc1)(c1ccccc1)[C@@H](C=C)C[C@H](C)O
InChIInChI=1S/C21H26OSi/c1-4-16-23(19(5-2)17-18(3)22,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h4-15,18-19,22H,1-2,16-17H2,3H3/t18-,19-/m0/s1
InChIKeyAGYGTZPYLJTSRO-OALUTQOASA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 53.76
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

pent-1-en-3-yl-diphenyl-prop-2-enylsilane
CID 100932460
(2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol
CID 134955377
(1S,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylpent-4-en-1-ol
CID 135746136
1-(but-3-enyl-methyl-phenylsilyl)-3-methylbutan-1-ol
CID 22967163
(2R,3R)-2-[dimethyl(phenyl)silyl]-3-methylpent-4-en-2-ol
CID 102406326
[(2R)-but-3-en-2-yl]-dimethyl-phenylsilane
CID 134947847
dimethyl-[(2S)-pent-4-en-2-yl]-phenylsilane
CID 134970098
bromobenzene;pent-4-en-2-ol
CID 145155051
oct-1-en-3-yl(triphenyl)silane
CID 154720363
4-phenylheptane-2,6-diol
CID 173150769
but-3-enyl-methyl-phenyl-prop-2-enylsilane
CID 175181643
(1E,3S,4S)-1-[dimethyl(phenyl)silyl]-2,4-dimethylhexa-1,5-dien-3-ol
CID 162415777

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[diphenyl(prop-2-enyl)silyl]hex-5-en-2-ol?
The IUPAC name of (2S,4R)-4-[diphenyl(prop-2-enyl)silyl]hex-5-en-2-ol (CID 11834255) is (2S,4R)-4-[diphenyl(prop-2-enyl)silyl]hex-5-en-2-ol.
What is the SMILES notation for (2S,4R)-4-[diphenyl(prop-2-enyl)silyl]hex-5-en-2-ol?
The canonical SMILES for (2S,4R)-4-[diphenyl(prop-2-enyl)silyl]hex-5-en-2-ol is C=CC[Si](c1ccccc1)(c1ccccc1)[C@@H](C=C)C[C@H](C)O.
What is the InChIKey of (2S,4R)-4-[diphenyl(prop-2-enyl)silyl]hex-5-en-2-ol?
The InChIKey is AGYGTZPYLJTSRO-OALUTQOASA-N. The full InChI is InChI=1S/C21H26OSi/c1-4-16-23(19(5-2)17-18(3)22,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h4-15,18-19,22H,1-2,16-17H2,3H3/t18-,19-/m0/s1.
What are the key properties of (2S,4R)-4-[diphenyl(prop-2-enyl)silyl]hex-5-en-2-ol?
(2S,4R)-4-[diphenyl(prop-2-enyl)silyl]hex-5-en-2-ol has a molecular weight of 322.52 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[diphenyl(prop-2-enyl)silyl]hex-5-en-2-ol is sourced from PubChem (CID 11834255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).