2-(2-propylsulfanylpropan-2-yl)-1,3-dioxolane

C9H18O2S — CID 10012755

IUPAC2-(2-propylsulfanylpropan-2-yl)-1,3-dioxolane
SMILESCCCSC(C)(C)C1OCCO1
InChIInChI=1S/C9H18O2S/c1-4-7-12-9(2,3)8-10-5-6-11-8/h8H,4-7H2,1-3H3
InChIKeySEVDTOINMTVYJJ-UHFFFAOYSA-N
MW190.31 g/mol
LogP2.28
Rot. Bonds4

About 2-(2-propylsulfanylpropan-2-yl)-1,3-dioxolane

2-(2-propylsulfanylpropan-2-yl)-1,3-dioxolane (PubChem CID 10012755) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is 2-(2-propylsulfanylpropan-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-propylsulfanylpropan-2-yl)-1,3-dioxolane
PubChem CID10012755
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name2-(2-propylsulfanylpropan-2-yl)-1,3-dioxolane
SMILESCCCSC(C)(C)C1OCCO1
InChIInChI=1S/C9H18O2S/c1-4-7-12-9(2,3)8-10-5-6-11-8/h8H,4-7H2,1-3H3
InChIKeySEVDTOINMTVYJJ-UHFFFAOYSA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

1,3-Dioxolane, 2-(2-(ethylthio)-1-methylethyl)-2-methyl-
CID 56940
1,3-Dioxolane, 2-methyl-2-(1-methyl-2-(propylthio)ethyl)-
CID 56941
1,3-Dioxolane, 2-(2-(butylthio)-1-methylethyl)-2-methyl-
CID 59228
1,3-Dioxolane, 2-methyl-2-(1-methyl-2-((3-methylbutyl)thio)ethyl)-
CID 59229
1,3-Dioxolane, 2-methyl-2-(1-methyl-2-(pentylthio)ethyl)-
CID 59230
1,3-Dioxolane, 4-methyl-2-[2-(methylthio)ethyl]-
CID 100927
(4S)-2,2,4-trimethyl-4-(2-propan-2-ylsulfanylethyl)-1,3-dioxolane
CID 14849539
2-Methyl-2-(1'-methylthiomethyl)ethyl-4-oxymeth-yl-1,3-dioxolane
CID 129773577
2-(2,2-Diethoxyethylsulfanyl)-2-methylpropane
CID 10998208
1-(2,2-Diethoxyethylsulfanyl)propane
CID 12356801
1-(2,2-Diethoxyethylsulfanyl)butane
CID 12726339
2-(Tert-butylsulfanylmethyl)-1,3-dioxolane
CID 21574749

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylsulfanylpropan-2-yl)-1,3-dioxolane?
The IUPAC name of 2-(2-propylsulfanylpropan-2-yl)-1,3-dioxolane (CID 10012755) is 2-(2-propylsulfanylpropan-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-propylsulfanylpropan-2-yl)-1,3-dioxolane?
The canonical SMILES for 2-(2-propylsulfanylpropan-2-yl)-1,3-dioxolane is CCCSC(C)(C)C1OCCO1.
What is the InChIKey of 2-(2-propylsulfanylpropan-2-yl)-1,3-dioxolane?
The InChIKey is SEVDTOINMTVYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2S/c1-4-7-12-9(2,3)8-10-5-6-11-8/h8H,4-7H2,1-3H3.
What are the key properties of 2-(2-propylsulfanylpropan-2-yl)-1,3-dioxolane?
2-(2-propylsulfanylpropan-2-yl)-1,3-dioxolane has a molecular weight of 190.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylsulfanylpropan-2-yl)-1,3-dioxolane is sourced from PubChem (CID 10012755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).