methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-(3-fluorophenyl)prop-2-enoate

C19H21FO2Si — CID 72723028

IUPACmethyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-(3-fluorophenyl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1cccc(F)c1)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H21FO2Si/c1-22-19(21)16(12-15-8-7-9-17(20)13-15)14-23(2,3)18-10-5-4-6-11-18/h4-13H,14H2,1-3H3/b16-12+
InChIKeyUFZFNZSKKVITES-FOWTUZBSSA-N
MW328.46 g/mol
LogP4.00
Rot. Bonds5

About methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-(3-fluorophenyl)prop-2-enoate

methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-(3-fluorophenyl)prop-2-enoate (PubChem CID 72723028) has the molecular formula C19H21FO2Si and a molecular weight of 328.46 g/mol. Its IUPAC name is methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-(3-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-(3-fluorophenyl)prop-2-enoate
PubChem CID72723028
Molecular FormulaC19H21FO2Si
Molecular Weight328.46 g/mol
Exact Mass328.13
IUPAC Namemethyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-(3-fluorophenyl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1cccc(F)c1)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H21FO2Si/c1-22-19(21)16(12-15-8-7-9-17(20)13-15)14-23(2,3)18-10-5-4-6-11-18/h4-13H,14H2,1-3H3/b16-12+
InChIKeyUFZFNZSKKVITES-FOWTUZBSSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-(3-fluorophenyl)prop-2-enoate?
The IUPAC name of methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-(3-fluorophenyl)prop-2-enoate (CID 72723028) is methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-(3-fluorophenyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-(3-fluorophenyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-(3-fluorophenyl)prop-2-enoate is COC(=O)/C(=C/c1cccc(F)c1)C[Si](C)(C)c1ccccc1.
What is the InChIKey of methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-(3-fluorophenyl)prop-2-enoate?
The InChIKey is UFZFNZSKKVITES-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H21FO2Si/c1-22-19(21)16(12-15-8-7-9-17(20)13-15)14-23(2,3)18-10-5-4-6-11-18/h4-13H,14H2,1-3H3/b16-12+.
What are the key properties of methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-(3-fluorophenyl)prop-2-enoate?
methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-(3-fluorophenyl)prop-2-enoate has a molecular weight of 328.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-(3-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 72723028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).