2-(2-naphthalen-2-ylsulfinylethyl)-1,3-dioxane

C16H18O3S — CID 66473976

IUPAC2-(2-naphthalen-2-ylsulfinylethyl)-1,3-dioxane
SMILESO=S(CCC1OCCCO1)c1ccc2ccccc2c1
InChIInChI=1S/C16H18O3S/c17-20(11-8-16-18-9-3-10-19-16)15-7-6-13-4-1-2-5-14(13)12-15/h1-2,4-7,12,16H,3,8-11H2
InChIKeySQPFNYVLBYOXKC-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.10
Rot. Bonds4

About 2-(2-naphthalen-2-ylsulfinylethyl)-1,3-dioxane

2-(2-naphthalen-2-ylsulfinylethyl)-1,3-dioxane (PubChem CID 66473976) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-(2-naphthalen-2-ylsulfinylethyl)-1,3-dioxane.

Molecular Properties

Compound Name2-(2-naphthalen-2-ylsulfinylethyl)-1,3-dioxane
PubChem CID66473976
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name2-(2-naphthalen-2-ylsulfinylethyl)-1,3-dioxane
SMILESO=S(CCC1OCCCO1)c1ccc2ccccc2c1
InChIInChI=1S/C16H18O3S/c17-20(11-8-16-18-9-3-10-19-16)15-7-6-13-4-1-2-5-14(13)12-15/h1-2,4-7,12,16H,3,8-11H2
InChIKeySQPFNYVLBYOXKC-UHFFFAOYSA-N
XLogP3.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-2-ylsulfinylethyl)-1,3-dioxane?
The IUPAC name of 2-(2-naphthalen-2-ylsulfinylethyl)-1,3-dioxane (CID 66473976) is 2-(2-naphthalen-2-ylsulfinylethyl)-1,3-dioxane.
What is the SMILES notation for 2-(2-naphthalen-2-ylsulfinylethyl)-1,3-dioxane?
The canonical SMILES for 2-(2-naphthalen-2-ylsulfinylethyl)-1,3-dioxane is O=S(CCC1OCCCO1)c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-naphthalen-2-ylsulfinylethyl)-1,3-dioxane?
The InChIKey is SQPFNYVLBYOXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c17-20(11-8-16-18-9-3-10-19-16)15-7-6-13-4-1-2-5-14(13)12-15/h1-2,4-7,12,16H,3,8-11H2.
What are the key properties of 2-(2-naphthalen-2-ylsulfinylethyl)-1,3-dioxane?
2-(2-naphthalen-2-ylsulfinylethyl)-1,3-dioxane has a molecular weight of 290.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-2-ylsulfinylethyl)-1,3-dioxane is sourced from PubChem (CID 66473976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).