(4,5-dimethyl-2-oxo-1,3-dioxolan-4-yl) (2-oxo-1,3-dioxolan-4-yl) carbonate

C9H10O9 — CID 139792570

IUPAC(4,5-dimethyl-2-oxo-1,3-dioxolan-4-yl) (2-oxo-1,3-dioxolan-4-yl) carbonate
SMILESCC1OC(=O)OC1(C)OC(=O)OC1COC(=O)O1
InChIInChI=1S/C9H10O9/c1-4-9(2,17-7(11)14-4)18-8(12)16-5-3-13-6(10)15-5/h4-5H,3H2,1-2H3
InChIKeyPLYNJTRINLUJID-UHFFFAOYSA-N
MW262.17 g/mol
LogP0.90
Rot. Bonds2

About (4,5-dimethyl-2-oxo-1,3-dioxolan-4-yl) (2-oxo-1,3-dioxolan-4-yl) carbonate

(4,5-dimethyl-2-oxo-1,3-dioxolan-4-yl) (2-oxo-1,3-dioxolan-4-yl) carbonate (PubChem CID 139792570) has the molecular formula C9H10O9 and a molecular weight of 262.17 g/mol. Its IUPAC name is (4,5-dimethyl-2-oxo-1,3-dioxolan-4-yl) (2-oxo-1,3-dioxolan-4-yl) carbonate.

Molecular Properties

Compound Name(4,5-dimethyl-2-oxo-1,3-dioxolan-4-yl) (2-oxo-1,3-dioxolan-4-yl) carbonate
PubChem CID139792570
Molecular FormulaC9H10O9
Molecular Weight262.17 g/mol
Exact Mass262.03
IUPAC Name(4,5-dimethyl-2-oxo-1,3-dioxolan-4-yl) (2-oxo-1,3-dioxolan-4-yl) carbonate
SMILESCC1OC(=O)OC1(C)OC(=O)OC1COC(=O)O1
InChIInChI=1S/C9H10O9/c1-4-9(2,17-7(11)14-4)18-8(12)16-5-3-13-6(10)15-5/h4-5H,3H2,1-2H3
InChIKeyPLYNJTRINLUJID-UHFFFAOYSA-N
XLogP0.90
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-2-oxo-1,3-dioxolan-4-yl) (2-oxo-1,3-dioxolan-4-yl) carbonate?
The IUPAC name of (4,5-dimethyl-2-oxo-1,3-dioxolan-4-yl) (2-oxo-1,3-dioxolan-4-yl) carbonate (CID 139792570) is (4,5-dimethyl-2-oxo-1,3-dioxolan-4-yl) (2-oxo-1,3-dioxolan-4-yl) carbonate.
What is the SMILES notation for (4,5-dimethyl-2-oxo-1,3-dioxolan-4-yl) (2-oxo-1,3-dioxolan-4-yl) carbonate?
The canonical SMILES for (4,5-dimethyl-2-oxo-1,3-dioxolan-4-yl) (2-oxo-1,3-dioxolan-4-yl) carbonate is CC1OC(=O)OC1(C)OC(=O)OC1COC(=O)O1.
What is the InChIKey of (4,5-dimethyl-2-oxo-1,3-dioxolan-4-yl) (2-oxo-1,3-dioxolan-4-yl) carbonate?
The InChIKey is PLYNJTRINLUJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O9/c1-4-9(2,17-7(11)14-4)18-8(12)16-5-3-13-6(10)15-5/h4-5H,3H2,1-2H3.
What are the key properties of (4,5-dimethyl-2-oxo-1,3-dioxolan-4-yl) (2-oxo-1,3-dioxolan-4-yl) carbonate?
(4,5-dimethyl-2-oxo-1,3-dioxolan-4-yl) (2-oxo-1,3-dioxolan-4-yl) carbonate has a molecular weight of 262.17 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-2-oxo-1,3-dioxolan-4-yl) (2-oxo-1,3-dioxolan-4-yl) carbonate is sourced from PubChem (CID 139792570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).