methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-naphthalen-1-ylprop-2-enoate

C23H24O2Si — CID 72723030

IUPACmethyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-naphthalen-1-ylprop-2-enoate
SMILESCOC(=O)/C(=C/c1cccc2ccccc12)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H24O2Si/c1-25-23(24)20(17-26(2,3)21-13-5-4-6-14-21)16-19-12-9-11-18-10-7-8-15-22(18)19/h4-16H,17H2,1-3H3/b20-16+
InChIKeyLQPYAPZCAHGBTJ-CAPFRKAQSA-N
MW360.53 g/mol
LogP5.01
Rot. Bonds5

About methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-naphthalen-1-ylprop-2-enoate

methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-naphthalen-1-ylprop-2-enoate (PubChem CID 72723030) has the molecular formula C23H24O2Si and a molecular weight of 360.53 g/mol. Its IUPAC name is methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-naphthalen-1-ylprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-naphthalen-1-ylprop-2-enoate
PubChem CID72723030
Molecular FormulaC23H24O2Si
Molecular Weight360.53 g/mol
Exact Mass360.15
IUPAC Namemethyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-naphthalen-1-ylprop-2-enoate
SMILESCOC(=O)/C(=C/c1cccc2ccccc12)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H24O2Si/c1-25-23(24)20(17-26(2,3)21-13-5-4-6-14-21)16-19-12-9-11-18-10-7-8-15-22(18)19/h4-16H,17H2,1-3H3/b20-16+
InChIKeyLQPYAPZCAHGBTJ-CAPFRKAQSA-N
XLogP5.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.53
LogP ≤ 55.01
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-naphthalen-1-ylprop-2-enoate?
The IUPAC name of methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-naphthalen-1-ylprop-2-enoate (CID 72723030) is methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-naphthalen-1-ylprop-2-enoate.
What is the SMILES notation for methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-naphthalen-1-ylprop-2-enoate?
The canonical SMILES for methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-naphthalen-1-ylprop-2-enoate is COC(=O)/C(=C/c1cccc2ccccc12)C[Si](C)(C)c1ccccc1.
What is the InChIKey of methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-naphthalen-1-ylprop-2-enoate?
The InChIKey is LQPYAPZCAHGBTJ-CAPFRKAQSA-N. The full InChI is InChI=1S/C23H24O2Si/c1-25-23(24)20(17-26(2,3)21-13-5-4-6-14-21)16-19-12-9-11-18-10-7-8-15-22(18)19/h4-16H,17H2,1-3H3/b20-16+.
What are the key properties of methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-naphthalen-1-ylprop-2-enoate?
methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-naphthalen-1-ylprop-2-enoate has a molecular weight of 360.53 g/mol, XLogP of 5.01, 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-naphthalen-1-ylprop-2-enoate is sourced from PubChem (CID 72723030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).