(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,3-dimethylbut-2-enoate

C11H14O5 — CID 71195037

IUPAC(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,3-dimethylbut-2-enoate
SMILESCC(C)=C(C)C(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C11H14O5/c1-6(2)7(3)10(12)14-5-9-8(4)15-11(13)16-9/h5H2,1-4H3
InChIKeyFJKUMNZSNQNUAP-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.94
Rot. Bonds3

About (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,3-dimethylbut-2-enoate

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,3-dimethylbut-2-enoate (PubChem CID 71195037) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,3-dimethylbut-2-enoate.

Molecular Properties

Compound Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,3-dimethylbut-2-enoate
PubChem CID71195037
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,3-dimethylbut-2-enoate
SMILESCC(C)=C(C)C(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C11H14O5/c1-6(2)7(3)10(12)14-5-9-8(4)15-11(13)16-9/h5H2,1-4H3
InChIKeyFJKUMNZSNQNUAP-UHFFFAOYSA-N
XLogP1.94
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.94
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-2-oxo-1,3-dioxol-4-yl)methyl 2,3-dimethylbut-2-enoate?
The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,3-dimethylbut-2-enoate (CID 71195037) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,3-dimethylbut-2-enoate.
What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,3-dimethylbut-2-enoate?
The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,3-dimethylbut-2-enoate is CC(C)=C(C)C(=O)OCc1oc(=O)oc1C.
What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,3-dimethylbut-2-enoate?
The InChIKey is FJKUMNZSNQNUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-6(2)7(3)10(12)14-5-9-8(4)15-11(13)16-9/h5H2,1-4H3.
What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,3-dimethylbut-2-enoate?
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,3-dimethylbut-2-enoate has a molecular weight of 226.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,3-dimethylbut-2-enoate is sourced from PubChem (CID 71195037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).