2-(2-propan-2-ylsulfanylpropan-2-yl)-1,3-dioxolane

C9H18O2S — CID 10375273

IUPAC2-(2-propan-2-ylsulfanylpropan-2-yl)-1,3-dioxolane
SMILESCC(C)SC(C)(C)C1OCCO1
InChIInChI=1S/C9H18O2S/c1-7(2)12-9(3,4)8-10-5-6-11-8/h7-8H,5-6H2,1-4H3
InChIKeyRFVRTTIAEYLNJD-UHFFFAOYSA-N
MW190.31 g/mol
LogP2.28
Rot. Bonds3

About 2-(2-propan-2-ylsulfanylpropan-2-yl)-1,3-dioxolane

2-(2-propan-2-ylsulfanylpropan-2-yl)-1,3-dioxolane (PubChem CID 10375273) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is 2-(2-propan-2-ylsulfanylpropan-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-propan-2-ylsulfanylpropan-2-yl)-1,3-dioxolane
PubChem CID10375273
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name2-(2-propan-2-ylsulfanylpropan-2-yl)-1,3-dioxolane
SMILESCC(C)SC(C)(C)C1OCCO1
InChIInChI=1S/C9H18O2S/c1-7(2)12-9(3,4)8-10-5-6-11-8/h7-8H,5-6H2,1-4H3
InChIKeyRFVRTTIAEYLNJD-UHFFFAOYSA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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
1,1-Diethoxy-2-(propan-2-ylsulfanyl)ethane
CID 14974110
2-Methyl-2-(1'-methylthiomethyl)ethyl-4-oxymeth-yl-1,3-dioxolane
CID 129773577
2-(2,2-Diethoxyethylsulfanyl)-2-methylpropane
CID 10998208
2-(Tert-butylsulfanylmethyl)-1,3-dioxolane
CID 21574749
S-[2-(1,3-dioxolan-2-yl)ethyl] ethanethioate
CID 11116580
4-(Ethylsulfanylmethyl)-2-methyl-1,3-dioxolane
CID 12246126
S-(1,3-dioxolan-2-ylmethyl) ethanethioate
CID 20233085
4-(Methoxymethyl)-2-(2-methylsulfanylethyl)-1,3-dioxolane
CID 20318012

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylsulfanylpropan-2-yl)-1,3-dioxolane?
The IUPAC name of 2-(2-propan-2-ylsulfanylpropan-2-yl)-1,3-dioxolane (CID 10375273) is 2-(2-propan-2-ylsulfanylpropan-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-propan-2-ylsulfanylpropan-2-yl)-1,3-dioxolane?
The canonical SMILES for 2-(2-propan-2-ylsulfanylpropan-2-yl)-1,3-dioxolane is CC(C)SC(C)(C)C1OCCO1.
What is the InChIKey of 2-(2-propan-2-ylsulfanylpropan-2-yl)-1,3-dioxolane?
The InChIKey is RFVRTTIAEYLNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2S/c1-7(2)12-9(3,4)8-10-5-6-11-8/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(2-propan-2-ylsulfanylpropan-2-yl)-1,3-dioxolane?
2-(2-propan-2-ylsulfanylpropan-2-yl)-1,3-dioxolane has a molecular weight of 190.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylsulfanylpropan-2-yl)-1,3-dioxolane is sourced from PubChem (CID 10375273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).