methyl 9-oxo-6-trimethylstannylfluorene-2-carboxylate

C18H18O3Sn — CID 15661384

IUPACmethyl 9-oxo-6-trimethylstannylfluorene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(=O)c1ccc([Sn](C)(C)C)cc1-2
InChIInChI=1S/C15H9O3.3CH3.Sn/c1-18-15(17)9-6-7-11-10-4-2-3-5-12(10)14(16)13(11)8-9;;;;/h3-8H,1H3;3*1H3;
InChIKeyLFBGTQBTBZINOP-UHFFFAOYSA-N
MW401.05 g/mol
LogP3.23
Rot. Bonds2

About methyl 9-oxo-6-trimethylstannylfluorene-2-carboxylate

methyl 9-oxo-6-trimethylstannylfluorene-2-carboxylate (PubChem CID 15661384) has the molecular formula C18H18O3Sn and a molecular weight of 401.05 g/mol. Its IUPAC name is methyl 9-oxo-6-trimethylstannylfluorene-2-carboxylate.

Molecular Properties

Compound Namemethyl 9-oxo-6-trimethylstannylfluorene-2-carboxylate
PubChem CID15661384
Molecular FormulaC18H18O3Sn
Molecular Weight401.05 g/mol
Exact Mass402.03
IUPAC Namemethyl 9-oxo-6-trimethylstannylfluorene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(=O)c1ccc([Sn](C)(C)C)cc1-2
InChIInChI=1S/C15H9O3.3CH3.Sn/c1-18-15(17)9-6-7-11-10-4-2-3-5-12(10)14(16)13(11)8-9;;;;/h3-8H,1H3;3*1H3;
InChIKeyLFBGTQBTBZINOP-UHFFFAOYSA-N
XLogP3.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.05
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 9-oxo-6-trimethylstannylfluorene-2-carboxylate?
The IUPAC name of methyl 9-oxo-6-trimethylstannylfluorene-2-carboxylate (CID 15661384) is methyl 9-oxo-6-trimethylstannylfluorene-2-carboxylate.
What is the SMILES notation for methyl 9-oxo-6-trimethylstannylfluorene-2-carboxylate?
The canonical SMILES for methyl 9-oxo-6-trimethylstannylfluorene-2-carboxylate is COC(=O)c1ccc2c(c1)C(=O)c1ccc([Sn](C)(C)C)cc1-2.
What is the InChIKey of methyl 9-oxo-6-trimethylstannylfluorene-2-carboxylate?
The InChIKey is LFBGTQBTBZINOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9O3.3CH3.Sn/c1-18-15(17)9-6-7-11-10-4-2-3-5-12(10)14(16)13(11)8-9;;;;/h3-8H,1H3;3*1H3;.
What are the key properties of methyl 9-oxo-6-trimethylstannylfluorene-2-carboxylate?
methyl 9-oxo-6-trimethylstannylfluorene-2-carboxylate has a molecular weight of 401.05 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-oxo-6-trimethylstannylfluorene-2-carboxylate is sourced from PubChem (CID 15661384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).