triethylsilyl naphthalene-1-carboperoxoate

C17H22O3Si — CID 158926273

IUPACtriethylsilyl naphthalene-1-carboperoxoate
SMILESCC[Si](CC)(CC)OOC(=O)c1cccc2ccccc12
InChIInChI=1S/C17H22O3Si/c1-4-21(5-2,6-3)20-19-17(18)16-13-9-11-14-10-7-8-12-15(14)16/h7-13H,4-6H2,1-3H3
InChIKeyJIMFBJNNDFJXRF-UHFFFAOYSA-N
MW302.45 g/mol
LogP4.93
Rot. Bonds6

About triethylsilyl naphthalene-1-carboperoxoate

triethylsilyl naphthalene-1-carboperoxoate (PubChem CID 158926273) has the molecular formula C17H22O3Si and a molecular weight of 302.45 g/mol. Its IUPAC name is triethylsilyl naphthalene-1-carboperoxoate.

Molecular Properties

Compound Nametriethylsilyl naphthalene-1-carboperoxoate
PubChem CID158926273
Molecular FormulaC17H22O3Si
Molecular Weight302.45 g/mol
Exact Mass302.13
IUPAC Nametriethylsilyl naphthalene-1-carboperoxoate
SMILESCC[Si](CC)(CC)OOC(=O)c1cccc2ccccc12
InChIInChI=1S/C17H22O3Si/c1-4-21(5-2,6-3)20-19-17(18)16-13-9-11-14-10-7-8-12-15(14)16/h7-13H,4-6H2,1-3H3
InChIKeyJIMFBJNNDFJXRF-UHFFFAOYSA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

propyl naphthalene-1-carboperoxoate
CID 154240919
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
bromo naphthalene-1-carboxylate
CID 68796403
magnesium;hydride;naphthalene-1-carboperoxoic acid
CID 175368397
1-hydroxyethyl naphthalene-1-carboxylate
CID 70181591
ethyl 2-amino-3,3-dinaphthalen-1-ylprop-2-enoate
CID 175236588
(3-ethylnaphthalene-1-carbonyl) 3-ethylnaphthalene-1-carboperoxoate
CID 139830003
trioctylstannyl naphthalene-1-carboxylate
CID 140558315
triethylsilyl 2-methylbenzoate
CID 102243806
2,2-diethoxy-1-naphthalen-1-ylethanone
CID 79495258
azane;dodecyl naphthalene-1-carboxylate
CID 172795658

Frequently Asked Questions

What is the IUPAC name of triethylsilyl naphthalene-1-carboperoxoate?
The IUPAC name of triethylsilyl naphthalene-1-carboperoxoate (CID 158926273) is triethylsilyl naphthalene-1-carboperoxoate.
What is the SMILES notation for triethylsilyl naphthalene-1-carboperoxoate?
The canonical SMILES for triethylsilyl naphthalene-1-carboperoxoate is CC[Si](CC)(CC)OOC(=O)c1cccc2ccccc12.
What is the InChIKey of triethylsilyl naphthalene-1-carboperoxoate?
The InChIKey is JIMFBJNNDFJXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3Si/c1-4-21(5-2,6-3)20-19-17(18)16-13-9-11-14-10-7-8-12-15(14)16/h7-13H,4-6H2,1-3H3.
What are the key properties of triethylsilyl naphthalene-1-carboperoxoate?
triethylsilyl naphthalene-1-carboperoxoate has a molecular weight of 302.45 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl naphthalene-1-carboperoxoate is sourced from PubChem (CID 158926273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).