[(Z)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate

C11H18O4 — CID 10703831

IUPAC[(Z)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate
SMILESCC(=O)OC/C=C(/C)CCC1OCCO1
InChIInChI=1S/C11H18O4/c1-9(5-6-13-10(2)12)3-4-11-14-7-8-15-11/h5,11H,3-4,6-8H2,1-2H3/b9-5-
InChIKeyKXPHCDLWQNLEEU-UITAMQMPSA-N
MW214.26 g/mol
LogP1.65
Rot. Bonds5

About [(Z)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate

[(Z)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate (PubChem CID 10703831) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is [(Z)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate.

Molecular Properties

Compound Name[(Z)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate
PubChem CID10703831
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name[(Z)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate
SMILESCC(=O)OC/C=C(/C)CCC1OCCO1
InChIInChI=1S/C11H18O4/c1-9(5-6-13-10(2)12)3-4-11-14-7-8-15-11/h5,11H,3-4,6-8H2,1-2H3/b9-5-
InChIKeyKXPHCDLWQNLEEU-UITAMQMPSA-N
XLogP1.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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 [(Z)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate?
The IUPAC name of [(Z)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate (CID 10703831) is [(Z)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate.
What is the SMILES notation for [(Z)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate?
The canonical SMILES for [(Z)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate is CC(=O)OC/C=C(/C)CCC1OCCO1.
What is the InChIKey of [(Z)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate?
The InChIKey is KXPHCDLWQNLEEU-UITAMQMPSA-N. The full InChI is InChI=1S/C11H18O4/c1-9(5-6-13-10(2)12)3-4-11-14-7-8-15-11/h5,11H,3-4,6-8H2,1-2H3/b9-5-.
What are the key properties of [(Z)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate?
[(Z)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate has a molecular weight of 214.26 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate is sourced from PubChem (CID 10703831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).