2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane

C12H22OS2 — CID 58210289

IUPAC2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane
SMILESCCC1CC(C2(C)SCCS2)C(CC)O1
InChIInChI=1S/C12H22OS2/c1-4-9-8-10(11(5-2)13-9)12(3)14-6-7-15-12/h9-11H,4-8H2,1-3H3
InChIKeyVLIYOYIFJALFOY-UHFFFAOYSA-N
MW246.44 g/mol
LogP3.78
Rot. Bonds3

About 2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane

2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane (PubChem CID 58210289) has the molecular formula C12H22OS2 and a molecular weight of 246.44 g/mol. Its IUPAC name is 2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane.

Molecular Properties

Compound Name2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane
PubChem CID58210289
Molecular FormulaC12H22OS2
Molecular Weight246.44 g/mol
Exact Mass246.11
IUPAC Name2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane
SMILESCCC1CC(C2(C)SCCS2)C(CC)O1
InChIInChI=1S/C12H22OS2/c1-4-9-8-10(11(5-2)13-9)12(3)14-6-7-15-12/h9-11H,4-8H2,1-3H3
InChIKeyVLIYOYIFJALFOY-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-diethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]furan;1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan;2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane;1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane;6,8-diethyl-7-oxa-1,4-dithiaspiro[4.4]nonane;1,3-diethylspiro[3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan-4,1'-cyclopentane]
CID 160881976
2,3-dimethyl-5-(2-methyl-1,3-dithiolan-2-yl)-7-oxabicyclo[2.2.1]heptane
CID 58210266
2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-2-methyl-1,3-dithiolane
CID 88552883
4-ethyloxetan-2-ol
CID 151879220
(5-ethyl-4-methyloxolan-2-yl)methanol
CID 90933878
5-ethyl-2-methyloxolan-3-amine
CID 59712801
methyl 2-(2,5-diethyloxolan-3-yl)propanoate
CID 70933076
2-(4,6-diethyl-1,3-dioxan-2-yl)ethylazanium
CID 20663775
2,6-diethyl-4-ethynyloxane
CID 174183967
(2R)-2,4-diethyl-6-methyloxane
CID 142157327
(3R,4S,6R)-6-ethyl-2-methoxy-3,4-dimethyloxane
CID 90394865
(3aS,7aS)-6-ethyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol
CID 58214754

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane?
The IUPAC name of 2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane (CID 58210289) is 2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane.
What is the SMILES notation for 2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane?
The canonical SMILES for 2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane is CCC1CC(C2(C)SCCS2)C(CC)O1.
What is the InChIKey of 2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane?
The InChIKey is VLIYOYIFJALFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OS2/c1-4-9-8-10(11(5-2)13-9)12(3)14-6-7-15-12/h9-11H,4-8H2,1-3H3.
What are the key properties of 2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane?
2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane has a molecular weight of 246.44 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane is sourced from PubChem (CID 58210289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).