lithium (Z)-3-phenyl-1-phenylmethoxy-3-trimethylsilylprop-1-en-1-olate

C19H23LiO2Si — CID 23711661

IUPAClithium (Z)-3-phenyl-1-phenylmethoxy-3-trimethylsilylprop-1-en-1-olate
SMILESC[Si](C)(C)C(/C=C(/[O-])OCc1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C19H24O2Si.Li/c1-22(2,3)18(17-12-8-5-9-13-17)14-19(20)21-15-16-10-6-4-7-11-16;/h4-14,18,20H,15H2,1-3H3;/q;+1/p-1/b19-14-;
InChIKeyHDAJCOSRYBVONM-YEBWQKSTSA-M
MW318.42 g/mol
LogP1.07
Rot. Bonds6

About lithium (Z)-3-phenyl-1-phenylmethoxy-3-trimethylsilylprop-1-en-1-olate

lithium (Z)-3-phenyl-1-phenylmethoxy-3-trimethylsilylprop-1-en-1-olate (PubChem CID 23711661) has the molecular formula C19H23LiO2Si and a molecular weight of 318.42 g/mol. Its IUPAC name is lithium (Z)-3-phenyl-1-phenylmethoxy-3-trimethylsilylprop-1-en-1-olate.

Molecular Properties

Compound Namelithium (Z)-3-phenyl-1-phenylmethoxy-3-trimethylsilylprop-1-en-1-olate
PubChem CID23711661
Molecular FormulaC19H23LiO2Si
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Namelithium (Z)-3-phenyl-1-phenylmethoxy-3-trimethylsilylprop-1-en-1-olate
SMILESC[Si](C)(C)C(/C=C(/[O-])OCc1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C19H24O2Si.Li/c1-22(2,3)18(17-12-8-5-9-13-17)14-19(20)21-15-16-10-6-4-7-11-16;/h4-14,18,20H,15H2,1-3H3;/q;+1/p-1/b19-14-;
InChIKeyHDAJCOSRYBVONM-YEBWQKSTSA-M
XLogP1.07
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 ≤ 51.07
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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Frequently Asked Questions

What is the IUPAC name of lithium (Z)-3-phenyl-1-phenylmethoxy-3-trimethylsilylprop-1-en-1-olate?
The IUPAC name of lithium (Z)-3-phenyl-1-phenylmethoxy-3-trimethylsilylprop-1-en-1-olate (CID 23711661) is lithium (Z)-3-phenyl-1-phenylmethoxy-3-trimethylsilylprop-1-en-1-olate.
What is the SMILES notation for lithium (Z)-3-phenyl-1-phenylmethoxy-3-trimethylsilylprop-1-en-1-olate?
The canonical SMILES for lithium (Z)-3-phenyl-1-phenylmethoxy-3-trimethylsilylprop-1-en-1-olate is C[Si](C)(C)C(/C=C(/[O-])OCc1ccccc1)c1ccccc1.[Li+].
What is the InChIKey of lithium (Z)-3-phenyl-1-phenylmethoxy-3-trimethylsilylprop-1-en-1-olate?
The InChIKey is HDAJCOSRYBVONM-YEBWQKSTSA-M. The full InChI is InChI=1S/C19H24O2Si.Li/c1-22(2,3)18(17-12-8-5-9-13-17)14-19(20)21-15-16-10-6-4-7-11-16;/h4-14,18,20H,15H2,1-3H3;/q;+1/p-1/b19-14-;.
What are the key properties of lithium (Z)-3-phenyl-1-phenylmethoxy-3-trimethylsilylprop-1-en-1-olate?
lithium (Z)-3-phenyl-1-phenylmethoxy-3-trimethylsilylprop-1-en-1-olate has a molecular weight of 318.42 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (Z)-3-phenyl-1-phenylmethoxy-3-trimethylsilylprop-1-en-1-olate is sourced from PubChem (CID 23711661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).