trimethylsilyl naphthalene-1-carboxylate

C14H16O2Si — CID 593302

IUPACtrimethylsilyl naphthalene-1-carboxylate
SMILESC[Si](C)(C)OC(=O)c1cccc2ccccc12
InChIInChI=1S/C14H16O2Si/c1-17(2,3)16-14(15)13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,1-3H3
InChIKeyUUTZVQNCBBAIBO-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.83
Rot. Bonds2

About trimethylsilyl naphthalene-1-carboxylate

trimethylsilyl naphthalene-1-carboxylate (PubChem CID 593302) has the molecular formula C14H16O2Si and a molecular weight of 244.37 g/mol. Its IUPAC name is trimethylsilyl naphthalene-1-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl naphthalene-1-carboxylate
PubChem CID593302
Molecular FormulaC14H16O2Si
Molecular Weight244.37 g/mol
Exact Mass244.09
IUPAC Nametrimethylsilyl naphthalene-1-carboxylate
SMILESC[Si](C)(C)OC(=O)c1cccc2ccccc12
InChIInChI=1S/C14H16O2Si/c1-17(2,3)16-14(15)13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,1-3H3
InChIKeyUUTZVQNCBBAIBO-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl naphthalene-1-carboxylate?
The IUPAC name of trimethylsilyl naphthalene-1-carboxylate (CID 593302) is trimethylsilyl naphthalene-1-carboxylate.
What is the SMILES notation for trimethylsilyl naphthalene-1-carboxylate?
The canonical SMILES for trimethylsilyl naphthalene-1-carboxylate is C[Si](C)(C)OC(=O)c1cccc2ccccc12.
What is the InChIKey of trimethylsilyl naphthalene-1-carboxylate?
The InChIKey is UUTZVQNCBBAIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2Si/c1-17(2,3)16-14(15)13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,1-3H3.
What are the key properties of trimethylsilyl naphthalene-1-carboxylate?
trimethylsilyl naphthalene-1-carboxylate has a molecular weight of 244.37 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl naphthalene-1-carboxylate is sourced from PubChem (CID 593302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).