2-methyl-2-(2-propylsulfanylethyl)-1,3-dioxolane

C9H18O2S — CID 13315742

IUPAC2-methyl-2-(2-propylsulfanylethyl)-1,3-dioxolane
SMILESCCCSCCC1(C)OCCO1
InChIInChI=1S/C9H18O2S/c1-3-7-12-8-4-9(2)10-5-6-11-9/h3-8H2,1-2H3
InChIKeyMZGFZQYHUJCXLQ-UHFFFAOYSA-N
MW190.31 g/mol
LogP2.28
Rot. Bonds5

About 2-methyl-2-(2-propylsulfanylethyl)-1,3-dioxolane

2-methyl-2-(2-propylsulfanylethyl)-1,3-dioxolane (PubChem CID 13315742) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is 2-methyl-2-(2-propylsulfanylethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-(2-propylsulfanylethyl)-1,3-dioxolane
PubChem CID13315742
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name2-methyl-2-(2-propylsulfanylethyl)-1,3-dioxolane
SMILESCCCSCCC1(C)OCCO1
InChIInChI=1S/C9H18O2S/c1-3-7-12-8-4-9(2)10-5-6-11-9/h3-8H2,1-2H3
InChIKeyMZGFZQYHUJCXLQ-UHFFFAOYSA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 52.28
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-methyl-2-(2-propylsulfanylethyl)-1,3-dioxolane?
The IUPAC name of 2-methyl-2-(2-propylsulfanylethyl)-1,3-dioxolane (CID 13315742) is 2-methyl-2-(2-propylsulfanylethyl)-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-(2-propylsulfanylethyl)-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-(2-propylsulfanylethyl)-1,3-dioxolane is CCCSCCC1(C)OCCO1.
What is the InChIKey of 2-methyl-2-(2-propylsulfanylethyl)-1,3-dioxolane?
The InChIKey is MZGFZQYHUJCXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2S/c1-3-7-12-8-4-9(2)10-5-6-11-9/h3-8H2,1-2H3.
What are the key properties of 2-methyl-2-(2-propylsulfanylethyl)-1,3-dioxolane?
2-methyl-2-(2-propylsulfanylethyl)-1,3-dioxolane has a molecular weight of 190.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-propylsulfanylethyl)-1,3-dioxolane is sourced from PubChem (CID 13315742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).