4-ethenyl-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one

C11H16O4 — CID 59716413

IUPAC4-ethenyl-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
SMILESC=CC1OC(C)(C)OC2C(C)C(=O)OC12
InChIInChI=1S/C11H16O4/c1-5-7-9-8(6(2)10(12)13-9)15-11(3,4)14-7/h5-9H,1H2,2-4H3
InChIKeyMBSHNNIFUCKUGD-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.25
Rot. Bonds1

About 4-ethenyl-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one

4-ethenyl-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one (PubChem CID 59716413) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 4-ethenyl-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one.

Molecular Properties

Compound Name4-ethenyl-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
PubChem CID59716413
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name4-ethenyl-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
SMILESC=CC1OC(C)(C)OC2C(C)C(=O)OC12
InChIInChI=1S/C11H16O4/c1-5-7-9-8(6(2)10(12)13-9)15-11(3,4)14-7/h5-9H,1H2,2-4H3
InChIKeyMBSHNNIFUCKUGD-UHFFFAOYSA-N
XLogP1.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
The IUPAC name of 4-ethenyl-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one (CID 59716413) is 4-ethenyl-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one.
What is the SMILES notation for 4-ethenyl-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
The canonical SMILES for 4-ethenyl-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one is C=CC1OC(C)(C)OC2C(C)C(=O)OC12.
What is the InChIKey of 4-ethenyl-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
The InChIKey is MBSHNNIFUCKUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-5-7-9-8(6(2)10(12)13-9)15-11(3,4)14-7/h5-9H,1H2,2-4H3.
What are the key properties of 4-ethenyl-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
4-ethenyl-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one has a molecular weight of 212.24 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one is sourced from PubChem (CID 59716413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).