[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enyl] acetate

C11H18O4 — CID 70983602

IUPAC[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enyl] acetate
SMILESCC(=O)OCC(C)=CC1COC(C)(C)O1
InChIInChI=1S/C11H18O4/c1-8(6-13-9(2)12)5-10-7-14-11(3,4)15-10/h5,10H,6-7H2,1-4H3
InChIKeyWSKNVQNQHZBNNC-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.65
Rot. Bonds3

About [3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enyl] acetate

[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enyl] acetate (PubChem CID 70983602) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is [3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enyl] acetate.

Molecular Properties

Compound Name[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enyl] acetate
PubChem CID70983602
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enyl] acetate
SMILESCC(=O)OCC(C)=CC1COC(C)(C)O1
InChIInChI=1S/C11H18O4/c1-8(6-13-9(2)12)5-10-7-14-11(3,4)15-10/h5,10H,6-7H2,1-4H3
InChIKeyWSKNVQNQHZBNNC-UHFFFAOYSA-N
XLogP1.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enyl] acetate?
The IUPAC name of [3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enyl] acetate (CID 70983602) is [3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enyl] acetate.
What is the SMILES notation for [3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enyl] acetate?
The canonical SMILES for [3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enyl] acetate is CC(=O)OCC(C)=CC1COC(C)(C)O1.
What is the InChIKey of [3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enyl] acetate?
The InChIKey is WSKNVQNQHZBNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-8(6-13-9(2)12)5-10-7-14-11(3,4)15-10/h5,10H,6-7H2,1-4H3.
What are the key properties of [3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enyl] acetate?
[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enyl] acetate has a molecular weight of 214.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enyl] acetate is sourced from PubChem (CID 70983602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).