2,2-bis(ethenyl)-4-ethyl-1,3-dioxolane

C9H14O2 — CID 89076414

IUPAC2,2-bis(ethenyl)-4-ethyl-1,3-dioxolane
SMILESC=CC1(C=C)OCC(CC)O1
InChIInChI=1S/C9H14O2/c1-4-8-7-10-9(5-2,6-3)11-8/h5-6,8H,2-4,7H2,1H3
InChIKeyXKFVFFZULSDUCP-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.88
Rot. Bonds3

About 2,2-bis(ethenyl)-4-ethyl-1,3-dioxolane

2,2-bis(ethenyl)-4-ethyl-1,3-dioxolane (PubChem CID 89076414) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2,2-bis(ethenyl)-4-ethyl-1,3-dioxolane.

Molecular Properties

Compound Name2,2-bis(ethenyl)-4-ethyl-1,3-dioxolane
PubChem CID89076414
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2,2-bis(ethenyl)-4-ethyl-1,3-dioxolane
SMILESC=CC1(C=C)OCC(CC)O1
InChIInChI=1S/C9H14O2/c1-4-8-7-10-9(5-2,6-3)11-8/h5-6,8H,2-4,7H2,1H3
InChIKeyXKFVFFZULSDUCP-UHFFFAOYSA-N
XLogP1.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,2-bis(ethenyl)-4-ethyl-1,3-dioxolane?
The IUPAC name of 2,2-bis(ethenyl)-4-ethyl-1,3-dioxolane (CID 89076414) is 2,2-bis(ethenyl)-4-ethyl-1,3-dioxolane.
What is the SMILES notation for 2,2-bis(ethenyl)-4-ethyl-1,3-dioxolane?
The canonical SMILES for 2,2-bis(ethenyl)-4-ethyl-1,3-dioxolane is C=CC1(C=C)OCC(CC)O1.
What is the InChIKey of 2,2-bis(ethenyl)-4-ethyl-1,3-dioxolane?
The InChIKey is XKFVFFZULSDUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-8-7-10-9(5-2,6-3)11-8/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 2,2-bis(ethenyl)-4-ethyl-1,3-dioxolane?
2,2-bis(ethenyl)-4-ethyl-1,3-dioxolane has a molecular weight of 154.21 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(ethenyl)-4-ethyl-1,3-dioxolane is sourced from PubChem (CID 89076414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).