trimethyl-(4'-methylsulfanylspiro[1,3-dioxolane-2,5'-7,8-dihydro-6H-naphthalene]-1'-yl)stannane

C16H24O2SSn — CID 10715905

IUPACtrimethyl-(4'-methylsulfanylspiro[1,3-dioxolane-2,5'-7,8-dihydro-6H-naphthalene]-1'-yl)stannane
SMILESCSc1ccc([Sn](C)(C)C)c2c1C1(CCC2)OCCO1
InChIInChI=1S/C13H15O2S.3CH3.Sn/c1-16-11-6-2-4-10-5-3-7-13(12(10)11)14-8-9-15-13;;;;/h2,6H,3,5,7-9H2,1H3;3*1H3;
InChIKeyWPZFLOFWTCQMKL-UHFFFAOYSA-N
MW399.14 g/mol
LogP3.49
Rot. Bonds2

About trimethyl-(4'-methylsulfanylspiro[1,3-dioxolane-2,5'-7,8-dihydro-6H-naphthalene]-1'-yl)stannane

trimethyl-(4'-methylsulfanylspiro[1,3-dioxolane-2,5'-7,8-dihydro-6H-naphthalene]-1'-yl)stannane (PubChem CID 10715905) has the molecular formula C16H24O2SSn and a molecular weight of 399.14 g/mol. Its IUPAC name is trimethyl-(4'-methylsulfanylspiro[1,3-dioxolane-2,5'-7,8-dihydro-6H-naphthalene]-1'-yl)stannane.

Molecular Properties

Compound Nametrimethyl-(4'-methylsulfanylspiro[1,3-dioxolane-2,5'-7,8-dihydro-6H-naphthalene]-1'-yl)stannane
PubChem CID10715905
Molecular FormulaC16H24O2SSn
Molecular Weight399.14 g/mol
Exact Mass400.05
IUPAC Nametrimethyl-(4'-methylsulfanylspiro[1,3-dioxolane-2,5'-7,8-dihydro-6H-naphthalene]-1'-yl)stannane
SMILESCSc1ccc([Sn](C)(C)C)c2c1C1(CCC2)OCCO1
InChIInChI=1S/C13H15O2S.3CH3.Sn/c1-16-11-6-2-4-10-5-3-7-13(12(10)11)14-8-9-15-13;;;;/h2,6H,3,5,7-9H2,1H3;3*1H3;
InChIKeyWPZFLOFWTCQMKL-UHFFFAOYSA-N
XLogP3.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.14
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(4'-methylsulfanylspiro[1,3-dioxolane-2,5'-7,8-dihydro-6H-naphthalene]-1'-yl)stannane?
The IUPAC name of trimethyl-(4'-methylsulfanylspiro[1,3-dioxolane-2,5'-7,8-dihydro-6H-naphthalene]-1'-yl)stannane (CID 10715905) is trimethyl-(4'-methylsulfanylspiro[1,3-dioxolane-2,5'-7,8-dihydro-6H-naphthalene]-1'-yl)stannane.
What is the SMILES notation for trimethyl-(4'-methylsulfanylspiro[1,3-dioxolane-2,5'-7,8-dihydro-6H-naphthalene]-1'-yl)stannane?
The canonical SMILES for trimethyl-(4'-methylsulfanylspiro[1,3-dioxolane-2,5'-7,8-dihydro-6H-naphthalene]-1'-yl)stannane is CSc1ccc([Sn](C)(C)C)c2c1C1(CCC2)OCCO1.
What is the InChIKey of trimethyl-(4'-methylsulfanylspiro[1,3-dioxolane-2,5'-7,8-dihydro-6H-naphthalene]-1'-yl)stannane?
The InChIKey is WPZFLOFWTCQMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15O2S.3CH3.Sn/c1-16-11-6-2-4-10-5-3-7-13(12(10)11)14-8-9-15-13;;;;/h2,6H,3,5,7-9H2,1H3;3*1H3;.
What are the key properties of trimethyl-(4'-methylsulfanylspiro[1,3-dioxolane-2,5'-7,8-dihydro-6H-naphthalene]-1'-yl)stannane?
trimethyl-(4'-methylsulfanylspiro[1,3-dioxolane-2,5'-7,8-dihydro-6H-naphthalene]-1'-yl)stannane has a molecular weight of 399.14 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(4'-methylsulfanylspiro[1,3-dioxolane-2,5'-7,8-dihydro-6H-naphthalene]-1'-yl)stannane is sourced from PubChem (CID 10715905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).