4-ethenyl-2-ethyl-2-pentyl-1,3-dioxolane

C12H22O2 — CID 67840193

IUPAC4-ethenyl-2-ethyl-2-pentyl-1,3-dioxolane
SMILESC=CC1COC(CC)(CCCCC)O1
InChIInChI=1S/C12H22O2/c1-4-7-8-9-12(6-3)13-10-11(5-2)14-12/h5,11H,2,4,6-10H2,1,3H3
InChIKeyCAFUXUMARZLNCW-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.27
Rot. Bonds6

About 4-ethenyl-2-ethyl-2-pentyl-1,3-dioxolane

4-ethenyl-2-ethyl-2-pentyl-1,3-dioxolane (PubChem CID 67840193) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-ethenyl-2-ethyl-2-pentyl-1,3-dioxolane.

Molecular Properties

Compound Name4-ethenyl-2-ethyl-2-pentyl-1,3-dioxolane
PubChem CID67840193
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name4-ethenyl-2-ethyl-2-pentyl-1,3-dioxolane
SMILESC=CC1COC(CC)(CCCCC)O1
InChIInChI=1S/C12H22O2/c1-4-7-8-9-12(6-3)13-10-11(5-2)14-12/h5,11H,2,4,6-10H2,1,3H3
InChIKeyCAFUXUMARZLNCW-UHFFFAOYSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-ethyl-2-pentyl-1,3-dioxolane?
The IUPAC name of 4-ethenyl-2-ethyl-2-pentyl-1,3-dioxolane (CID 67840193) is 4-ethenyl-2-ethyl-2-pentyl-1,3-dioxolane.
What is the SMILES notation for 4-ethenyl-2-ethyl-2-pentyl-1,3-dioxolane?
The canonical SMILES for 4-ethenyl-2-ethyl-2-pentyl-1,3-dioxolane is C=CC1COC(CC)(CCCCC)O1.
What is the InChIKey of 4-ethenyl-2-ethyl-2-pentyl-1,3-dioxolane?
The InChIKey is CAFUXUMARZLNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-7-8-9-12(6-3)13-10-11(5-2)14-12/h5,11H,2,4,6-10H2,1,3H3.
What are the key properties of 4-ethenyl-2-ethyl-2-pentyl-1,3-dioxolane?
4-ethenyl-2-ethyl-2-pentyl-1,3-dioxolane has a molecular weight of 198.31 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-ethyl-2-pentyl-1,3-dioxolane is sourced from PubChem (CID 67840193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).