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

C9H10O6 — CID 72511448

IUPAC4-methyl-5-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
SMILESCC1OC(=O)OC1=CC1OC(=O)OC1C
InChIInChI=1S/C9H10O6/c1-4-6(14-8(10)12-4)3-7-5(2)13-9(11)15-7/h3-6H,1-2H3
InChIKeyQKUYYMCYDUMCOX-UHFFFAOYSA-N
MW214.17 g/mol
LogP1.35
Rot. Bonds1

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

4-methyl-5-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one (PubChem CID 72511448) has the molecular formula C9H10O6 and a molecular weight of 214.17 g/mol. Its IUPAC name is 4-methyl-5-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-methyl-5-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
PubChem CID72511448
Molecular FormulaC9H10O6
Molecular Weight214.17 g/mol
Exact Mass214.05
IUPAC Name4-methyl-5-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
SMILESCC1OC(=O)OC1=CC1OC(=O)OC1C
InChIInChI=1S/C9H10O6/c1-4-6(14-8(10)12-4)3-7-5(2)13-9(11)15-7/h3-6H,1-2H3
InChIKeyQKUYYMCYDUMCOX-UHFFFAOYSA-N
XLogP1.35
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-Ethylidene-5-(1-methoxyethenyl)-1,3-dioxolan-2-one
CID 91192097
[(1Z)-1-(5-methyl-1,3-dioxolan-4-ylidene)propan-2-yl] propan-2-yl carbonate
CID 57179833
2,5,6,6a-Tetrahydrofuro[3,2-b]furan-6-yl methyl carbonate
CID 57667599
4-[(2-Oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
CID 59083879
(5Z)-4-methyl-5-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
CID 59083880
Tert-butyl 1-(2,3-dihydrofuran-5-yl)ethyl carbonate
CID 68562569
4-Methyl-5-prop-1-enyl-1,3-dioxolan-2-one
CID 68616966
4-[(2-Oxo-5-prop-2-enyl-1,3-dioxol-4-yl)methoxymethyl]-5-prop-2-enyl-1,3-dioxol-2-one
CID 69712949
[(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate
CID 70254982
4-[2-[1-(2-Oxo-1,3-dioxolan-4-yl)prop-1-en-2-yloxy]prop-1-enyl]-1,3-dioxolan-2-one
CID 89859032
[(6aR)-2,5,6,6a-tetrahydrofuro[3,2-b]furan-6-yl] methyl carbonate
CID 89950907
[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]prop-2-enyl] ethyl carbonate
CID 90223917

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one?
The IUPAC name of 4-methyl-5-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one (CID 72511448) is 4-methyl-5-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-methyl-5-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one?
The canonical SMILES for 4-methyl-5-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one is CC1OC(=O)OC1=CC1OC(=O)OC1C.
What is the InChIKey of 4-methyl-5-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one?
The InChIKey is QKUYYMCYDUMCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O6/c1-4-6(14-8(10)12-4)3-7-5(2)13-9(11)15-7/h3-6H,1-2H3.
What are the key properties of 4-methyl-5-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one?
4-methyl-5-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one has a molecular weight of 214.17 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one is sourced from PubChem (CID 72511448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).