6-[3-(2-ethenyl-1,3-dioxolan-2-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one

C14H18O6 — CID 46915617

IUPAC6-[3-(2-ethenyl-1,3-dioxolan-2-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESC=CC1(CC(=O)CC2=CC(=O)OC(C)(C)O2)OCCO1
InChIInChI=1S/C14H18O6/c1-4-14(17-5-6-18-14)9-10(15)7-11-8-12(16)20-13(2,3)19-11/h4,8H,1,5-7,9H2,2-3H3
InChIKeyKAMGPIKWLWUIKM-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.46
Rot. Bonds5

About 6-[3-(2-ethenyl-1,3-dioxolan-2-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one

6-[3-(2-ethenyl-1,3-dioxolan-2-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 46915617) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is 6-[3-(2-ethenyl-1,3-dioxolan-2-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[3-(2-ethenyl-1,3-dioxolan-2-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID46915617
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Name6-[3-(2-ethenyl-1,3-dioxolan-2-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESC=CC1(CC(=O)CC2=CC(=O)OC(C)(C)O2)OCCO1
InChIInChI=1S/C14H18O6/c1-4-14(17-5-6-18-14)9-10(15)7-11-8-12(16)20-13(2,3)19-11/h4,8H,1,5-7,9H2,2-3H3
InChIKeyKAMGPIKWLWUIKM-UHFFFAOYSA-N
XLogP1.46
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[3-(2-ethenyl-1,3-dioxolan-2-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Prop-2-enyl 4-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-3-oxobutanoate
CID 44518232
(E)-1-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-8-[(4S,5R)-2,2-dimethyl-5-[(Z)-prop-1-enyl]-1,3-dioxolan-4-yl]oct-5-ene-2,4-dione
CID 134844015
2,2-Dimethyl-6-(2-oxopentyl)-1,3-dioxin-4-one
CID 156810655
2,2-Dimethyl-6-(2-oxohex-5-enyl)-1,3-dioxin-4-one
CID 176648667
6-[(E)-4-hydroxy-2-oxohept-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 25033609
(E)-1-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-8-[(4S,5R)-2,2-dimethyl-5-[(E)-prop-1-enyl]-1,3-dioxolan-4-yl]oct-5-ene-2,4-dione
CID 101535087
methyl (2Z)-2-(1,4-dioxaspiro[4.5]dec-6-en-3-ylidene)acetate
CID 177563361

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-ethenyl-1,3-dioxolan-2-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[3-(2-ethenyl-1,3-dioxolan-2-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one (CID 46915617) is 6-[3-(2-ethenyl-1,3-dioxolan-2-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[3-(2-ethenyl-1,3-dioxolan-2-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[3-(2-ethenyl-1,3-dioxolan-2-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one is C=CC1(CC(=O)CC2=CC(=O)OC(C)(C)O2)OCCO1.
What is the InChIKey of 6-[3-(2-ethenyl-1,3-dioxolan-2-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is KAMGPIKWLWUIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6/c1-4-14(17-5-6-18-14)9-10(15)7-11-8-12(16)20-13(2,3)19-11/h4,8H,1,5-7,9H2,2-3H3.
What are the key properties of 6-[3-(2-ethenyl-1,3-dioxolan-2-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[3-(2-ethenyl-1,3-dioxolan-2-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 282.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-ethenyl-1,3-dioxolan-2-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 46915617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).