4-ethenyl-4,5,5-triethyl-1,3-dioxolan-2-one

C11H18O3 — CID 66865693

IUPAC4-ethenyl-4,5,5-triethyl-1,3-dioxolan-2-one
SMILESC=CC1(CC)OC(=O)OC1(CC)CC
InChIInChI=1S/C11H18O3/c1-5-10(6-2)11(7-3,8-4)14-9(12)13-10/h5H,1,6-8H2,2-4H3
InChIKeyPGXHYMUFFKLTEC-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.05
Rot. Bonds4

About 4-ethenyl-4,5,5-triethyl-1,3-dioxolan-2-one

4-ethenyl-4,5,5-triethyl-1,3-dioxolan-2-one (PubChem CID 66865693) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 4-ethenyl-4,5,5-triethyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-ethenyl-4,5,5-triethyl-1,3-dioxolan-2-one
PubChem CID66865693
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name4-ethenyl-4,5,5-triethyl-1,3-dioxolan-2-one
SMILESC=CC1(CC)OC(=O)OC1(CC)CC
InChIInChI=1S/C11H18O3/c1-5-10(6-2)11(7-3,8-4)14-9(12)13-10/h5H,1,6-8H2,2-4H3
InChIKeyPGXHYMUFFKLTEC-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.05
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-4,5,5-triethyl-1,3-dioxolan-2-one?
The IUPAC name of 4-ethenyl-4,5,5-triethyl-1,3-dioxolan-2-one (CID 66865693) is 4-ethenyl-4,5,5-triethyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-ethenyl-4,5,5-triethyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-ethenyl-4,5,5-triethyl-1,3-dioxolan-2-one is C=CC1(CC)OC(=O)OC1(CC)CC.
What is the InChIKey of 4-ethenyl-4,5,5-triethyl-1,3-dioxolan-2-one?
The InChIKey is PGXHYMUFFKLTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-5-10(6-2)11(7-3,8-4)14-9(12)13-10/h5H,1,6-8H2,2-4H3.
What are the key properties of 4-ethenyl-4,5,5-triethyl-1,3-dioxolan-2-one?
4-ethenyl-4,5,5-triethyl-1,3-dioxolan-2-one has a molecular weight of 198.26 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4,5,5-triethyl-1,3-dioxolan-2-one is sourced from PubChem (CID 66865693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).