lithium (E)-3-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-1-en-1-olate

C19H23LiO2Si — CID 23711656

IUPAClithium (E)-3-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-1-en-1-olate
SMILESCC(/C=C(\[O-])OCc1ccccc1)[Si](C)(C)c1ccccc1.[Li+]
InChIInChI=1S/C19H24O2Si.Li/c1-16(22(2,3)18-12-8-5-9-13-18)14-19(20)21-15-17-10-6-4-7-11-17;/h4-14,16,20H,15H2,1-3H3;/q;+1/p-1/b19-14+;
InChIKeyVTLVTCLJLVPANO-UGAWPWHASA-M
MW318.42 g/mol
LogP0.41
Rot. Bonds6

About lithium (E)-3-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-1-en-1-olate

lithium (E)-3-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-1-en-1-olate (PubChem CID 23711656) has the molecular formula C19H23LiO2Si and a molecular weight of 318.42 g/mol. Its IUPAC name is lithium (E)-3-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-1-en-1-olate.

Molecular Properties

Compound Namelithium (E)-3-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-1-en-1-olate
PubChem CID23711656
Molecular FormulaC19H23LiO2Si
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Namelithium (E)-3-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-1-en-1-olate
SMILESCC(/C=C(\[O-])OCc1ccccc1)[Si](C)(C)c1ccccc1.[Li+]
InChIInChI=1S/C19H24O2Si.Li/c1-16(22(2,3)18-12-8-5-9-13-18)14-19(20)21-15-17-10-6-4-7-11-17;/h4-14,16,20H,15H2,1-3H3;/q;+1/p-1/b19-14+;
InChIKeyVTLVTCLJLVPANO-UGAWPWHASA-M
XLogP0.41
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

lithium (Z)-3-phenyl-1-phenylmethoxy-3-trimethylsilylprop-1-en-1-olate
CID 23711661
(E)-3-methyl-1-phenylmethoxybut-1-en-1-ol
CID 15837583
(1R,2R,3R)-1-[dimethyl(phenyl)silyl]-4-phenylmethoxybutane-1,2,3-triol
CID 134901122
lithium 1-phenylmethoxyethenolate
CID 23696401
(3S)-3-amino-4-oxo-4-phenylmethoxybutanoate
CID 51722874
dimethyl-[(E,4R)-4-methyl-5-phenylmethoxypent-2-enyl]-phenylsilane
CID 15316565
benzyl (2S)-2-amino-3-tri(propan-2-yl)silyloxypropanoate
CID 10089317
N-methyl-1-phenylmethoxymethanimidate
CID 123332537
benzyl (2S)-2-aminopropanoate
CID 726858
(4R)-4-amino-5-oxo-5-phenylmethoxypentanoate
CID 53249735
benzyl 2-triphenylsilylacetate
CID 134956777
3-hydroxy-4-oxo-4-phenylmethoxybutanoate
CID 19803271

Frequently Asked Questions

What is the IUPAC name of lithium (E)-3-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-1-en-1-olate?
The IUPAC name of lithium (E)-3-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-1-en-1-olate (CID 23711656) is lithium (E)-3-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-1-en-1-olate.
What is the SMILES notation for lithium (E)-3-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-1-en-1-olate?
The canonical SMILES for lithium (E)-3-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-1-en-1-olate is CC(/C=C(\[O-])OCc1ccccc1)[Si](C)(C)c1ccccc1.[Li+].
What is the InChIKey of lithium (E)-3-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-1-en-1-olate?
The InChIKey is VTLVTCLJLVPANO-UGAWPWHASA-M. The full InChI is InChI=1S/C19H24O2Si.Li/c1-16(22(2,3)18-12-8-5-9-13-18)14-19(20)21-15-17-10-6-4-7-11-17;/h4-14,16,20H,15H2,1-3H3;/q;+1/p-1/b19-14+;.
What are the key properties of lithium (E)-3-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-1-en-1-olate?
lithium (E)-3-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-1-en-1-olate has a molecular weight of 318.42 g/mol, XLogP of 0.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (E)-3-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-1-en-1-olate is sourced from PubChem (CID 23711656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).