naphthalen-2-yl 2-[phenyl(triethylsilyloxy)methyl]prop-2-enoate

C26H30O3Si — CID 71484556

IUPACnaphthalen-2-yl 2-[phenyl(triethylsilyloxy)methyl]prop-2-enoate
SMILESC=C(C(=O)Oc1ccc2ccccc2c1)C(O[Si](CC)(CC)CC)c1ccccc1
InChIInChI=1S/C26H30O3Si/c1-5-30(6-2,7-3)29-25(22-14-9-8-10-15-22)20(4)26(27)28-24-18-17-21-13-11-12-16-23(21)19-24/h8-19,25H,4-7H2,1-3H3
InChIKeyVALRJWGJWNHRQC-UHFFFAOYSA-N
MW418.61 g/mol
LogP7.06
Rot. Bonds9

About naphthalen-2-yl 2-[phenyl(triethylsilyloxy)methyl]prop-2-enoate

naphthalen-2-yl 2-[phenyl(triethylsilyloxy)methyl]prop-2-enoate (PubChem CID 71484556) has the molecular formula C26H30O3Si and a molecular weight of 418.61 g/mol. Its IUPAC name is naphthalen-2-yl 2-[phenyl(triethylsilyloxy)methyl]prop-2-enoate.

Molecular Properties

Compound Namenaphthalen-2-yl 2-[phenyl(triethylsilyloxy)methyl]prop-2-enoate
PubChem CID71484556
Molecular FormulaC26H30O3Si
Molecular Weight418.61 g/mol
Exact Mass418.20
IUPAC Namenaphthalen-2-yl 2-[phenyl(triethylsilyloxy)methyl]prop-2-enoate
SMILESC=C(C(=O)Oc1ccc2ccccc2c1)C(O[Si](CC)(CC)CC)c1ccccc1
InChIInChI=1S/C26H30O3Si/c1-5-30(6-2,7-3)29-25(22-14-9-8-10-15-22)20(4)26(27)28-24-18-17-21-13-11-12-16-23(21)19-24/h8-19,25H,4-7H2,1-3H3
InChIKeyVALRJWGJWNHRQC-UHFFFAOYSA-N
XLogP7.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.61
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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triethylsilyl (E)-2-methylidene-3-phenylhex-4-enoate
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[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 58069127
naphthalen-2-yl 2-[(R)-furan-3-yl-[(4-methoxyphenyl)sulfonylamino]methyl]prop-2-enoate
CID 102389708
[6-[N-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58520173

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 2-[phenyl(triethylsilyloxy)methyl]prop-2-enoate?
The IUPAC name of naphthalen-2-yl 2-[phenyl(triethylsilyloxy)methyl]prop-2-enoate (CID 71484556) is naphthalen-2-yl 2-[phenyl(triethylsilyloxy)methyl]prop-2-enoate.
What is the SMILES notation for naphthalen-2-yl 2-[phenyl(triethylsilyloxy)methyl]prop-2-enoate?
The canonical SMILES for naphthalen-2-yl 2-[phenyl(triethylsilyloxy)methyl]prop-2-enoate is C=C(C(=O)Oc1ccc2ccccc2c1)C(O[Si](CC)(CC)CC)c1ccccc1.
What is the InChIKey of naphthalen-2-yl 2-[phenyl(triethylsilyloxy)methyl]prop-2-enoate?
The InChIKey is VALRJWGJWNHRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O3Si/c1-5-30(6-2,7-3)29-25(22-14-9-8-10-15-22)20(4)26(27)28-24-18-17-21-13-11-12-16-23(21)19-24/h8-19,25H,4-7H2,1-3H3.
What are the key properties of naphthalen-2-yl 2-[phenyl(triethylsilyloxy)methyl]prop-2-enoate?
naphthalen-2-yl 2-[phenyl(triethylsilyloxy)methyl]prop-2-enoate has a molecular weight of 418.61 g/mol, XLogP of 7.06, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl 2-[phenyl(triethylsilyloxy)methyl]prop-2-enoate is sourced from PubChem (CID 71484556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).