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

C10H12O5 — CID 89215799

IUPAC5-methyl-3-methylidene-5-(2-oxo-1,3-dioxolan-4-yl)oxan-2-one
SMILESC=C1CC(C)(C2COC(=O)O2)COC1=O
InChIInChI=1S/C10H12O5/c1-6-3-10(2,5-14-8(6)11)7-4-13-9(12)15-7/h7H,1,3-5H2,2H3
InChIKeyMCPNUUUOHQOGKI-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.03
Rot. Bonds1

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

5-methyl-3-methylidene-5-(2-oxo-1,3-dioxolan-4-yl)oxan-2-one (PubChem CID 89215799) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 5-methyl-3-methylidene-5-(2-oxo-1,3-dioxolan-4-yl)oxan-2-one.

Molecular Properties

Compound Name5-methyl-3-methylidene-5-(2-oxo-1,3-dioxolan-4-yl)oxan-2-one
PubChem CID89215799
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name5-methyl-3-methylidene-5-(2-oxo-1,3-dioxolan-4-yl)oxan-2-one
SMILESC=C1CC(C)(C2COC(=O)O2)COC1=O
InChIInChI=1S/C10H12O5/c1-6-3-10(2,5-14-8(6)11)7-4-13-9(12)15-7/h7H,1,3-5H2,2H3
InChIKeyMCPNUUUOHQOGKI-UHFFFAOYSA-N
XLogP1.03
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-methylidene-5-(2-oxo-1,3-dioxolan-4-yl)oxan-2-one?
The IUPAC name of 5-methyl-3-methylidene-5-(2-oxo-1,3-dioxolan-4-yl)oxan-2-one (CID 89215799) is 5-methyl-3-methylidene-5-(2-oxo-1,3-dioxolan-4-yl)oxan-2-one.
What is the SMILES notation for 5-methyl-3-methylidene-5-(2-oxo-1,3-dioxolan-4-yl)oxan-2-one?
The canonical SMILES for 5-methyl-3-methylidene-5-(2-oxo-1,3-dioxolan-4-yl)oxan-2-one is C=C1CC(C)(C2COC(=O)O2)COC1=O.
What is the InChIKey of 5-methyl-3-methylidene-5-(2-oxo-1,3-dioxolan-4-yl)oxan-2-one?
The InChIKey is MCPNUUUOHQOGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-6-3-10(2,5-14-8(6)11)7-4-13-9(12)15-7/h7H,1,3-5H2,2H3.
What are the key properties of 5-methyl-3-methylidene-5-(2-oxo-1,3-dioxolan-4-yl)oxan-2-one?
5-methyl-3-methylidene-5-(2-oxo-1,3-dioxolan-4-yl)oxan-2-one has a molecular weight of 212.20 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-methylidene-5-(2-oxo-1,3-dioxolan-4-yl)oxan-2-one is sourced from PubChem (CID 89215799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).