2-[3-(2-methyl-1,3-dithian-2-yl)propyl]-1,3-dioxolane

C11H20O2S2 — CID 14701599

IUPAC2-[3-(2-methyl-1,3-dithian-2-yl)propyl]-1,3-dioxolane
SMILESCC1(CCCC2OCCO2)SCCCS1
InChIInChI=1S/C11H20O2S2/c1-11(14-8-3-9-15-11)5-2-4-10-12-6-7-13-10/h10H,2-9H2,1H3
InChIKeyLMVGKYCXXXOWQD-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.12
Rot. Bonds4

About 2-[3-(2-methyl-1,3-dithian-2-yl)propyl]-1,3-dioxolane

2-[3-(2-methyl-1,3-dithian-2-yl)propyl]-1,3-dioxolane (PubChem CID 14701599) has the molecular formula C11H20O2S2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-[3-(2-methyl-1,3-dithian-2-yl)propyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[3-(2-methyl-1,3-dithian-2-yl)propyl]-1,3-dioxolane
PubChem CID14701599
Molecular FormulaC11H20O2S2
Molecular Weight248.41 g/mol
Exact Mass248.09
IUPAC Name2-[3-(2-methyl-1,3-dithian-2-yl)propyl]-1,3-dioxolane
SMILESCC1(CCCC2OCCO2)SCCCS1
InChIInChI=1S/C11H20O2S2/c1-11(14-8-3-9-15-11)5-2-4-10-12-6-7-13-10/h10H,2-9H2,1H3
InChIKeyLMVGKYCXXXOWQD-UHFFFAOYSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyl-1,3-dithian-2-yl)propyl]-1,3-dioxolane?
The IUPAC name of 2-[3-(2-methyl-1,3-dithian-2-yl)propyl]-1,3-dioxolane (CID 14701599) is 2-[3-(2-methyl-1,3-dithian-2-yl)propyl]-1,3-dioxolane.
What is the SMILES notation for 2-[3-(2-methyl-1,3-dithian-2-yl)propyl]-1,3-dioxolane?
The canonical SMILES for 2-[3-(2-methyl-1,3-dithian-2-yl)propyl]-1,3-dioxolane is CC1(CCCC2OCCO2)SCCCS1.
What is the InChIKey of 2-[3-(2-methyl-1,3-dithian-2-yl)propyl]-1,3-dioxolane?
The InChIKey is LMVGKYCXXXOWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2S2/c1-11(14-8-3-9-15-11)5-2-4-10-12-6-7-13-10/h10H,2-9H2,1H3.
What are the key properties of 2-[3-(2-methyl-1,3-dithian-2-yl)propyl]-1,3-dioxolane?
2-[3-(2-methyl-1,3-dithian-2-yl)propyl]-1,3-dioxolane has a molecular weight of 248.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyl-1,3-dithian-2-yl)propyl]-1,3-dioxolane is sourced from PubChem (CID 14701599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).