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

C12H22O2 — CID 71471492

IUPAC4-ethenyl-2-ethyl-2-(2-methylbutyl)-1,3-dioxolane
SMILESC=CC1COC(CC)(CC(C)CC)O1
InChIInChI=1S/C12H22O2/c1-5-10(4)8-12(7-3)13-9-11(6-2)14-12/h6,10-11H,2,5,7-9H2,1,3-4H3
InChIKeyUHTDBMHVQDEMQR-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.13
Rot. Bonds5

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

4-ethenyl-2-ethyl-2-(2-methylbutyl)-1,3-dioxolane (PubChem CID 71471492) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-ethenyl-2-ethyl-2-(2-methylbutyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-ethenyl-2-ethyl-2-(2-methylbutyl)-1,3-dioxolane
PubChem CID71471492
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name4-ethenyl-2-ethyl-2-(2-methylbutyl)-1,3-dioxolane
SMILESC=CC1COC(CC)(CC(C)CC)O1
InChIInChI=1S/C12H22O2/c1-5-10(4)8-12(7-3)13-9-11(6-2)14-12/h6,10-11H,2,5,7-9H2,1,3-4H3
InChIKeyUHTDBMHVQDEMQR-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.13
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 4-ethenyl-2-ethyl-2-(2-methylbutyl)-1,3-dioxolane?
The IUPAC name of 4-ethenyl-2-ethyl-2-(2-methylbutyl)-1,3-dioxolane (CID 71471492) is 4-ethenyl-2-ethyl-2-(2-methylbutyl)-1,3-dioxolane.
What is the SMILES notation for 4-ethenyl-2-ethyl-2-(2-methylbutyl)-1,3-dioxolane?
The canonical SMILES for 4-ethenyl-2-ethyl-2-(2-methylbutyl)-1,3-dioxolane is C=CC1COC(CC)(CC(C)CC)O1.
What is the InChIKey of 4-ethenyl-2-ethyl-2-(2-methylbutyl)-1,3-dioxolane?
The InChIKey is UHTDBMHVQDEMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-5-10(4)8-12(7-3)13-9-11(6-2)14-12/h6,10-11H,2,5,7-9H2,1,3-4H3.
What are the key properties of 4-ethenyl-2-ethyl-2-(2-methylbutyl)-1,3-dioxolane?
4-ethenyl-2-ethyl-2-(2-methylbutyl)-1,3-dioxolane has a molecular weight of 198.31 g/mol, XLogP of 3.13, 5 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-(2-methylbutyl)-1,3-dioxolane is sourced from PubChem (CID 71471492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).