2-(2-phenylethyl)-2-(3-propylsulfanylpropyl)-1,3-dioxolane

C17H26O2S — CID 59132451

IUPAC2-(2-phenylethyl)-2-(3-propylsulfanylpropyl)-1,3-dioxolane
SMILESCCCSCCCC1(CCc2ccccc2)OCCO1
InChIInChI=1S/C17H26O2S/c1-2-14-20-15-6-10-17(18-12-13-19-17)11-9-16-7-4-3-5-8-16/h3-5,7-8H,2,6,9-15H2,1H3
InChIKeyOYGAJBMJNMJYRJ-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.29
Rot. Bonds9

About 2-(2-phenylethyl)-2-(3-propylsulfanylpropyl)-1,3-dioxolane

2-(2-phenylethyl)-2-(3-propylsulfanylpropyl)-1,3-dioxolane (PubChem CID 59132451) has the molecular formula C17H26O2S and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-(2-phenylethyl)-2-(3-propylsulfanylpropyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-phenylethyl)-2-(3-propylsulfanylpropyl)-1,3-dioxolane
PubChem CID59132451
Molecular FormulaC17H26O2S
Molecular Weight294.46 g/mol
Exact Mass294.17
IUPAC Name2-(2-phenylethyl)-2-(3-propylsulfanylpropyl)-1,3-dioxolane
SMILESCCCSCCCC1(CCc2ccccc2)OCCO1
InChIInChI=1S/C17H26O2S/c1-2-14-20-15-6-10-17(18-12-13-19-17)11-9-16-7-4-3-5-8-16/h3-5,7-8H,2,6,9-15H2,1H3
InChIKeyOYGAJBMJNMJYRJ-UHFFFAOYSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-2-(3-propylsulfanylpropyl)-1,3-dioxolane?
The IUPAC name of 2-(2-phenylethyl)-2-(3-propylsulfanylpropyl)-1,3-dioxolane (CID 59132451) is 2-(2-phenylethyl)-2-(3-propylsulfanylpropyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-phenylethyl)-2-(3-propylsulfanylpropyl)-1,3-dioxolane?
The canonical SMILES for 2-(2-phenylethyl)-2-(3-propylsulfanylpropyl)-1,3-dioxolane is CCCSCCCC1(CCc2ccccc2)OCCO1.
What is the InChIKey of 2-(2-phenylethyl)-2-(3-propylsulfanylpropyl)-1,3-dioxolane?
The InChIKey is OYGAJBMJNMJYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2S/c1-2-14-20-15-6-10-17(18-12-13-19-17)11-9-16-7-4-3-5-8-16/h3-5,7-8H,2,6,9-15H2,1H3.
What are the key properties of 2-(2-phenylethyl)-2-(3-propylsulfanylpropyl)-1,3-dioxolane?
2-(2-phenylethyl)-2-(3-propylsulfanylpropyl)-1,3-dioxolane has a molecular weight of 294.46 g/mol, XLogP of 4.29, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-2-(3-propylsulfanylpropyl)-1,3-dioxolane is sourced from PubChem (CID 59132451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).