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

C8H16O2S — CID 57117933

IUPAC2-methyl-2-(3-methylsulfanylpropyl)-1,3-dioxolane
SMILESCSCCCC1(C)OCCO1
InChIInChI=1S/C8H16O2S/c1-8(4-3-7-11-2)9-5-6-10-8/h3-7H2,1-2H3
InChIKeyZUJGLNIPFKWDCA-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.89
Rot. Bonds4

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

2-methyl-2-(3-methylsulfanylpropyl)-1,3-dioxolane (PubChem CID 57117933) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is 2-methyl-2-(3-methylsulfanylpropyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-(3-methylsulfanylpropyl)-1,3-dioxolane
PubChem CID57117933
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name2-methyl-2-(3-methylsulfanylpropyl)-1,3-dioxolane
SMILESCSCCCC1(C)OCCO1
InChIInChI=1S/C8H16O2S/c1-8(4-3-7-11-2)9-5-6-10-8/h3-7H2,1-2H3
InChIKeyZUJGLNIPFKWDCA-UHFFFAOYSA-N
XLogP1.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.89
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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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
(4S)-2,2,4-trimethyl-4-(2-propan-2-ylsulfanylethyl)-1,3-dioxolane
CID 14849539
1,4-Dioxaspiro[4.5]decane, 8-(methylthio)-
CID 567366
1,4-Dioxa-7-thiaspiro[4.5]decane
CID 642978
2-(2-Methyl-1,3-dithiolan-2-yl)-2-propyl-1,3-dioxolane
CID 12296895
2-Methyl-2-(1'-methylthiomethyl)ethyl-4-oxymeth-yl-1,3-dioxolane
CID 129773577
(4R)-2,2-dimethyl-4-[(2S)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane
CID 14347862
4-(1-Methylsulfanylethyl)-1,3-dioxolane
CID 19425315

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylsulfanylpropyl)-1,3-dioxolane?
The IUPAC name of 2-methyl-2-(3-methylsulfanylpropyl)-1,3-dioxolane (CID 57117933) is 2-methyl-2-(3-methylsulfanylpropyl)-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-(3-methylsulfanylpropyl)-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-(3-methylsulfanylpropyl)-1,3-dioxolane is CSCCCC1(C)OCCO1.
What is the InChIKey of 2-methyl-2-(3-methylsulfanylpropyl)-1,3-dioxolane?
The InChIKey is ZUJGLNIPFKWDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c1-8(4-3-7-11-2)9-5-6-10-8/h3-7H2,1-2H3.
What are the key properties of 2-methyl-2-(3-methylsulfanylpropyl)-1,3-dioxolane?
2-methyl-2-(3-methylsulfanylpropyl)-1,3-dioxolane has a molecular weight of 176.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylsulfanylpropyl)-1,3-dioxolane is sourced from PubChem (CID 57117933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).