4-ethyl-2,2-dimethyl-4-(3-naphthalen-2-ylsulfanylphenyl)-1,3-dioxolane

C23H24O2S — CID 19883614

IUPAC4-ethyl-2,2-dimethyl-4-(3-naphthalen-2-ylsulfanylphenyl)-1,3-dioxolane
SMILESCCC1(c2cccc(Sc3ccc4ccccc4c3)c2)COC(C)(C)O1
InChIInChI=1S/C23H24O2S/c1-4-23(16-24-22(2,3)25-23)19-10-7-11-20(15-19)26-21-13-12-17-8-5-6-9-18(17)14-21/h5-15H,4,16H2,1-3H3
InChIKeyUVWITSXRIVCLPT-UHFFFAOYSA-N
MW364.51 g/mol
LogP6.38
Rot. Bonds4

About 4-ethyl-2,2-dimethyl-4-(3-naphthalen-2-ylsulfanylphenyl)-1,3-dioxolane

4-ethyl-2,2-dimethyl-4-(3-naphthalen-2-ylsulfanylphenyl)-1,3-dioxolane (PubChem CID 19883614) has the molecular formula C23H24O2S and a molecular weight of 364.51 g/mol. Its IUPAC name is 4-ethyl-2,2-dimethyl-4-(3-naphthalen-2-ylsulfanylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-ethyl-2,2-dimethyl-4-(3-naphthalen-2-ylsulfanylphenyl)-1,3-dioxolane
PubChem CID19883614
Molecular FormulaC23H24O2S
Molecular Weight364.51 g/mol
Exact Mass364.15
IUPAC Name4-ethyl-2,2-dimethyl-4-(3-naphthalen-2-ylsulfanylphenyl)-1,3-dioxolane
SMILESCCC1(c2cccc(Sc3ccc4ccccc4c3)c2)COC(C)(C)O1
InChIInChI=1S/C23H24O2S/c1-4-23(16-24-22(2,3)25-23)19-10-7-11-20(15-19)26-21-13-12-17-8-5-6-9-18(17)14-21/h5-15H,4,16H2,1-3H3
InChIKeyUVWITSXRIVCLPT-UHFFFAOYSA-N
XLogP6.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2-dimethyl-4-(3-naphthalen-2-ylsulfanylphenyl)-1,3-dioxolane?
The IUPAC name of 4-ethyl-2,2-dimethyl-4-(3-naphthalen-2-ylsulfanylphenyl)-1,3-dioxolane (CID 19883614) is 4-ethyl-2,2-dimethyl-4-(3-naphthalen-2-ylsulfanylphenyl)-1,3-dioxolane.
What is the SMILES notation for 4-ethyl-2,2-dimethyl-4-(3-naphthalen-2-ylsulfanylphenyl)-1,3-dioxolane?
The canonical SMILES for 4-ethyl-2,2-dimethyl-4-(3-naphthalen-2-ylsulfanylphenyl)-1,3-dioxolane is CCC1(c2cccc(Sc3ccc4ccccc4c3)c2)COC(C)(C)O1.
What is the InChIKey of 4-ethyl-2,2-dimethyl-4-(3-naphthalen-2-ylsulfanylphenyl)-1,3-dioxolane?
The InChIKey is UVWITSXRIVCLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2S/c1-4-23(16-24-22(2,3)25-23)19-10-7-11-20(15-19)26-21-13-12-17-8-5-6-9-18(17)14-21/h5-15H,4,16H2,1-3H3.
What are the key properties of 4-ethyl-2,2-dimethyl-4-(3-naphthalen-2-ylsulfanylphenyl)-1,3-dioxolane?
4-ethyl-2,2-dimethyl-4-(3-naphthalen-2-ylsulfanylphenyl)-1,3-dioxolane has a molecular weight of 364.51 g/mol, XLogP of 6.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2-dimethyl-4-(3-naphthalen-2-ylsulfanylphenyl)-1,3-dioxolane is sourced from PubChem (CID 19883614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).