6-(2-cyclopropyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one

C11H14O4 — CID 59756036

IUPAC6-(2-cyclopropyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(CC(=O)C2CC2)O1
InChIInChI=1S/C11H14O4/c1-11(2)14-8(6-10(13)15-11)5-9(12)7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyYJVHEKOORJMTLT-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.55
Rot. Bonds3

About 6-(2-cyclopropyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one

6-(2-cyclopropyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 59756036) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 6-(2-cyclopropyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-(2-cyclopropyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID59756036
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name6-(2-cyclopropyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(CC(=O)C2CC2)O1
InChIInChI=1S/C11H14O4/c1-11(2)14-8(6-10(13)15-11)5-9(12)7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyYJVHEKOORJMTLT-UHFFFAOYSA-N
XLogP1.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-(2-cyclopropyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one (CID 59756036) is 6-(2-cyclopropyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-(2-cyclopropyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-(2-cyclopropyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one is CC1(C)OC(=O)C=C(CC(=O)C2CC2)O1.
What is the InChIKey of 6-(2-cyclopropyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is YJVHEKOORJMTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-11(2)14-8(6-10(13)15-11)5-9(12)7-3-4-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 6-(2-cyclopropyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one?
6-(2-cyclopropyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 210.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 59756036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).