7-trimethylstannyl-3,4-dihydro-2H-naphthalen-1-one

C13H18OSn — CID 15224570

IUPAC7-trimethylstannyl-3,4-dihydro-2H-naphthalen-1-one
SMILESC[Sn](C)(C)c1ccc2c(c1)C(=O)CCC2
InChIInChI=1S/C10H9O.3CH3.Sn/c11-10-7-3-5-8-4-1-2-6-9(8)10;;;;/h1,4,6H,3,5,7H2;3*1H3;
InChIKeyBQJSGFNBZJPQOS-UHFFFAOYSA-N
MW309.00 g/mol
LogP2.75
Rot. Bonds1

About 7-trimethylstannyl-3,4-dihydro-2H-naphthalen-1-one

7-trimethylstannyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 15224570) has the molecular formula C13H18OSn and a molecular weight of 309.00 g/mol. Its IUPAC name is 7-trimethylstannyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-trimethylstannyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID15224570
Molecular FormulaC13H18OSn
Molecular Weight309.00 g/mol
Exact Mass310.04
IUPAC Name7-trimethylstannyl-3,4-dihydro-2H-naphthalen-1-one
SMILESC[Sn](C)(C)c1ccc2c(c1)C(=O)CCC2
InChIInChI=1S/C10H9O.3CH3.Sn/c11-10-7-3-5-8-4-1-2-6-9(8)10;;;;/h1,4,6H,3,5,7H2;3*1H3;
InChIKeyBQJSGFNBZJPQOS-UHFFFAOYSA-N
XLogP2.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.00
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-trimethylstannyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-trimethylstannyl-3,4-dihydro-2H-naphthalen-1-one (CID 15224570) is 7-trimethylstannyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-trimethylstannyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-trimethylstannyl-3,4-dihydro-2H-naphthalen-1-one is C[Sn](C)(C)c1ccc2c(c1)C(=O)CCC2.
What is the InChIKey of 7-trimethylstannyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is BQJSGFNBZJPQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9O.3CH3.Sn/c11-10-7-3-5-8-4-1-2-6-9(8)10;;;;/h1,4,6H,3,5,7H2;3*1H3;.
What are the key properties of 7-trimethylstannyl-3,4-dihydro-2H-naphthalen-1-one?
7-trimethylstannyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 309.00 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-trimethylstannyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 15224570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).