(2S,5S)-2-methyl-5-[(2S,4S)-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one

C8H10O6 — CID 101343749

IUPAC(2S,5S)-2-methyl-5-[(2S,4S)-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one
SMILESC[C@@H]1OC(=O)[C@H]([C@@H]2O[C@H](C)OC2=O)O1
InChIInChI=1S/C8H10O6/c1-3-11-5(7(9)13-3)6-8(10)14-4(2)12-6/h3-6H,1-2H3/t3-,4-,5-,6-/m0/s1
InChIKeyCELDKVNSIXHBQQ-BXKVDMCESA-N
MW202.16 g/mol
LogP-0.44
Rot. Bonds1

About (2S,5S)-2-methyl-5-[(2S,4S)-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one

(2S,5S)-2-methyl-5-[(2S,4S)-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one (PubChem CID 101343749) has the molecular formula C8H10O6 and a molecular weight of 202.16 g/mol. Its IUPAC name is (2S,5S)-2-methyl-5-[(2S,4S)-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(2S,5S)-2-methyl-5-[(2S,4S)-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one
PubChem CID101343749
Molecular FormulaC8H10O6
Molecular Weight202.16 g/mol
Exact Mass202.05
IUPAC Name(2S,5S)-2-methyl-5-[(2S,4S)-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one
SMILESC[C@@H]1OC(=O)[C@H]([C@@H]2O[C@H](C)OC2=O)O1
InChIInChI=1S/C8H10O6/c1-3-11-5(7(9)13-3)6-8(10)14-4(2)12-6/h3-6H,1-2H3/t3-,4-,5-,6-/m0/s1
InChIKeyCELDKVNSIXHBQQ-BXKVDMCESA-N
XLogP-0.44
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-methyl-5-[(2S,4S)-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one?
The IUPAC name of (2S,5S)-2-methyl-5-[(2S,4S)-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one (CID 101343749) is (2S,5S)-2-methyl-5-[(2S,4S)-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one.
What is the SMILES notation for (2S,5S)-2-methyl-5-[(2S,4S)-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one?
The canonical SMILES for (2S,5S)-2-methyl-5-[(2S,4S)-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one is C[C@@H]1OC(=O)[C@H]([C@@H]2O[C@H](C)OC2=O)O1.
What is the InChIKey of (2S,5S)-2-methyl-5-[(2S,4S)-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one?
The InChIKey is CELDKVNSIXHBQQ-BXKVDMCESA-N. The full InChI is InChI=1S/C8H10O6/c1-3-11-5(7(9)13-3)6-8(10)14-4(2)12-6/h3-6H,1-2H3/t3-,4-,5-,6-/m0/s1.
What are the key properties of (2S,5S)-2-methyl-5-[(2S,4S)-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one?
(2S,5S)-2-methyl-5-[(2S,4S)-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one has a molecular weight of 202.16 g/mol, XLogP of -0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-methyl-5-[(2S,4S)-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one is sourced from PubChem (CID 101343749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).