4-ethenyl-5,5-dimethyl-1,3-dioxan-2-one

C8H12O3 — CID 10986484

IUPAC4-ethenyl-5,5-dimethyl-1,3-dioxan-2-one
SMILESC=CC1OC(=O)OCC1(C)C
InChIInChI=1S/C8H12O3/c1-4-6-8(2,3)5-10-7(9)11-6/h4,6H,1,5H2,2-3H3
InChIKeyFUGALRNNDIGXSU-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.73
Rot. Bonds1

About 4-ethenyl-5,5-dimethyl-1,3-dioxan-2-one

4-ethenyl-5,5-dimethyl-1,3-dioxan-2-one (PubChem CID 10986484) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-ethenyl-5,5-dimethyl-1,3-dioxan-2-one.

Molecular Properties

Compound Name4-ethenyl-5,5-dimethyl-1,3-dioxan-2-one
PubChem CID10986484
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name4-ethenyl-5,5-dimethyl-1,3-dioxan-2-one
SMILESC=CC1OC(=O)OCC1(C)C
InChIInChI=1S/C8H12O3/c1-4-6-8(2,3)5-10-7(9)11-6/h4,6H,1,5H2,2-3H3
InChIKeyFUGALRNNDIGXSU-UHFFFAOYSA-N
XLogP1.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-5,5-dimethyl-1,3-dioxan-2-one?
The IUPAC name of 4-ethenyl-5,5-dimethyl-1,3-dioxan-2-one (CID 10986484) is 4-ethenyl-5,5-dimethyl-1,3-dioxan-2-one.
What is the SMILES notation for 4-ethenyl-5,5-dimethyl-1,3-dioxan-2-one?
The canonical SMILES for 4-ethenyl-5,5-dimethyl-1,3-dioxan-2-one is C=CC1OC(=O)OCC1(C)C.
What is the InChIKey of 4-ethenyl-5,5-dimethyl-1,3-dioxan-2-one?
The InChIKey is FUGALRNNDIGXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-4-6-8(2,3)5-10-7(9)11-6/h4,6H,1,5H2,2-3H3.
What are the key properties of 4-ethenyl-5,5-dimethyl-1,3-dioxan-2-one?
4-ethenyl-5,5-dimethyl-1,3-dioxan-2-one has a molecular weight of 156.18 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5,5-dimethyl-1,3-dioxan-2-one is sourced from PubChem (CID 10986484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).