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

C11H20O2 — CID 19388286

IUPAC4-ethenyl-2-methyl-2-(3-methylbutyl)-1,3-dioxolane
SMILESC=CC1COC(C)(CCC(C)C)O1
InChIInChI=1S/C11H20O2/c1-5-10-8-12-11(4,13-10)7-6-9(2)3/h5,9-10H,1,6-8H2,2-4H3
InChIKeyNBQLOAXJGILVFP-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds4

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

4-ethenyl-2-methyl-2-(3-methylbutyl)-1,3-dioxolane (PubChem CID 19388286) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-ethenyl-2-methyl-2-(3-methylbutyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-ethenyl-2-methyl-2-(3-methylbutyl)-1,3-dioxolane
PubChem CID19388286
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-ethenyl-2-methyl-2-(3-methylbutyl)-1,3-dioxolane
SMILESC=CC1COC(C)(CCC(C)C)O1
InChIInChI=1S/C11H20O2/c1-5-10-8-12-11(4,13-10)7-6-9(2)3/h5,9-10H,1,6-8H2,2-4H3
InChIKeyNBQLOAXJGILVFP-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.74
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-methyl-2-(3-methylbutyl)-1,3-dioxolane?
The IUPAC name of 4-ethenyl-2-methyl-2-(3-methylbutyl)-1,3-dioxolane (CID 19388286) is 4-ethenyl-2-methyl-2-(3-methylbutyl)-1,3-dioxolane.
What is the SMILES notation for 4-ethenyl-2-methyl-2-(3-methylbutyl)-1,3-dioxolane?
The canonical SMILES for 4-ethenyl-2-methyl-2-(3-methylbutyl)-1,3-dioxolane is C=CC1COC(C)(CCC(C)C)O1.
What is the InChIKey of 4-ethenyl-2-methyl-2-(3-methylbutyl)-1,3-dioxolane?
The InChIKey is NBQLOAXJGILVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-10-8-12-11(4,13-10)7-6-9(2)3/h5,9-10H,1,6-8H2,2-4H3.
What are the key properties of 4-ethenyl-2-methyl-2-(3-methylbutyl)-1,3-dioxolane?
4-ethenyl-2-methyl-2-(3-methylbutyl)-1,3-dioxolane has a molecular weight of 184.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-methyl-2-(3-methylbutyl)-1,3-dioxolane is sourced from PubChem (CID 19388286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).