[(E,3S)-3-[dimethyl(phenyl)silyl]hex-4-enyl] 2-hydroxy-2-phenylacetate

C22H28O3Si — CID 10361701

IUPAC[(E,3S)-3-[dimethyl(phenyl)silyl]hex-4-enyl] 2-hydroxy-2-phenylacetate
SMILESC/C=C/C(CCOC(=O)C(O)c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C22H28O3Si/c1-4-11-19(26(2,3)20-14-9-6-10-15-20)16-17-25-22(24)21(23)18-12-7-5-8-13-18/h4-15,19,21,23H,16-17H2,1-3H3/b11-4+
InChIKeyDIBGFXMGDTXDLH-NYYWCZLTSA-N
MW368.55 g/mol
LogP4.22
Rot. Bonds8

About [(E,3S)-3-[dimethyl(phenyl)silyl]hex-4-enyl] 2-hydroxy-2-phenylacetate

[(E,3S)-3-[dimethyl(phenyl)silyl]hex-4-enyl] 2-hydroxy-2-phenylacetate (PubChem CID 10361701) has the molecular formula C22H28O3Si and a molecular weight of 368.55 g/mol. Its IUPAC name is [(E,3S)-3-[dimethyl(phenyl)silyl]hex-4-enyl] 2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[(E,3S)-3-[dimethyl(phenyl)silyl]hex-4-enyl] 2-hydroxy-2-phenylacetate
PubChem CID10361701
Molecular FormulaC22H28O3Si
Molecular Weight368.55 g/mol
Exact Mass368.18
IUPAC Name[(E,3S)-3-[dimethyl(phenyl)silyl]hex-4-enyl] 2-hydroxy-2-phenylacetate
SMILESC/C=C/C(CCOC(=O)C(O)c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C22H28O3Si/c1-4-11-19(26(2,3)20-14-9-6-10-15-20)16-17-25-22(24)21(23)18-12-7-5-8-13-18/h4-15,19,21,23H,16-17H2,1-3H3/b11-4+
InChIKeyDIBGFXMGDTXDLH-NYYWCZLTSA-N
XLogP4.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

methyl (3R)-3-[dimethyl(phenyl)silyl]hex-4-enoate
CID 171320236
10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate
CID 123268996
chloromethyl 2-hydroxy-2-phenylacetate
CID 123324758
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
pentyl (2R)-2-hydroxy-2-phenylacetate
CID 67071786
2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate
CID 23617342
dimethyl-[(Z)-6-methylhept-2-en-4-yl]-phenylsilane
CID 15353782
[(E)-1-[dimethyl(phenyl)silyl]but-2-enyl] acetate
CID 14715781
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
benzhydryl-[(E)-1-[dimethyl(phenyl)silyl]pent-3-en-2-yl]-dimethylsilane
CID 11212531
2,2-dimethylpropyl (2R)-2-hydroxy-2-phenylacetate
CID 175069063

Frequently Asked Questions

What is the IUPAC name of [(E,3S)-3-[dimethyl(phenyl)silyl]hex-4-enyl] 2-hydroxy-2-phenylacetate?
The IUPAC name of [(E,3S)-3-[dimethyl(phenyl)silyl]hex-4-enyl] 2-hydroxy-2-phenylacetate (CID 10361701) is [(E,3S)-3-[dimethyl(phenyl)silyl]hex-4-enyl] 2-hydroxy-2-phenylacetate.
What is the SMILES notation for [(E,3S)-3-[dimethyl(phenyl)silyl]hex-4-enyl] 2-hydroxy-2-phenylacetate?
The canonical SMILES for [(E,3S)-3-[dimethyl(phenyl)silyl]hex-4-enyl] 2-hydroxy-2-phenylacetate is C/C=C/C(CCOC(=O)C(O)c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of [(E,3S)-3-[dimethyl(phenyl)silyl]hex-4-enyl] 2-hydroxy-2-phenylacetate?
The InChIKey is DIBGFXMGDTXDLH-NYYWCZLTSA-N. The full InChI is InChI=1S/C22H28O3Si/c1-4-11-19(26(2,3)20-14-9-6-10-15-20)16-17-25-22(24)21(23)18-12-7-5-8-13-18/h4-15,19,21,23H,16-17H2,1-3H3/b11-4+.
What are the key properties of [(E,3S)-3-[dimethyl(phenyl)silyl]hex-4-enyl] 2-hydroxy-2-phenylacetate?
[(E,3S)-3-[dimethyl(phenyl)silyl]hex-4-enyl] 2-hydroxy-2-phenylacetate has a molecular weight of 368.55 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3S)-3-[dimethyl(phenyl)silyl]hex-4-enyl] 2-hydroxy-2-phenylacetate is sourced from PubChem (CID 10361701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).