prop-2-enyl 6-(1,3-dioxolan-2-yl)-4-oxo-2-prop-2-enylhexanoate

C15H22O5 — CID 135070668

IUPACprop-2-enyl 6-(1,3-dioxolan-2-yl)-4-oxo-2-prop-2-enylhexanoate
SMILESC=CCOC(=O)C(CC=C)CC(=O)CCC1OCCO1
InChIInChI=1S/C15H22O5/c1-3-5-12(15(17)20-8-4-2)11-13(16)6-7-14-18-9-10-19-14/h3-4,12,14H,1-2,5-11H2
InChIKeyJZXOJORRXYGXCR-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.02
Rot. Bonds10

About prop-2-enyl 6-(1,3-dioxolan-2-yl)-4-oxo-2-prop-2-enylhexanoate

prop-2-enyl 6-(1,3-dioxolan-2-yl)-4-oxo-2-prop-2-enylhexanoate (PubChem CID 135070668) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is prop-2-enyl 6-(1,3-dioxolan-2-yl)-4-oxo-2-prop-2-enylhexanoate.

Molecular Properties

Compound Nameprop-2-enyl 6-(1,3-dioxolan-2-yl)-4-oxo-2-prop-2-enylhexanoate
PubChem CID135070668
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Nameprop-2-enyl 6-(1,3-dioxolan-2-yl)-4-oxo-2-prop-2-enylhexanoate
SMILESC=CCOC(=O)C(CC=C)CC(=O)CCC1OCCO1
InChIInChI=1S/C15H22O5/c1-3-5-12(15(17)20-8-4-2)11-13(16)6-7-14-18-9-10-19-14/h3-4,12,14H,1-2,5-11H2
InChIKeyJZXOJORRXYGXCR-UHFFFAOYSA-N
XLogP2.02
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethenyl 6-(1,3-dioxolan-2-yl)-4-oxo-2-prop-2-enylhexanoate
CID 11821601
Ethyl 5-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)pentanoate
CID 13213607

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 6-(1,3-dioxolan-2-yl)-4-oxo-2-prop-2-enylhexanoate?
The IUPAC name of prop-2-enyl 6-(1,3-dioxolan-2-yl)-4-oxo-2-prop-2-enylhexanoate (CID 135070668) is prop-2-enyl 6-(1,3-dioxolan-2-yl)-4-oxo-2-prop-2-enylhexanoate.
What is the SMILES notation for prop-2-enyl 6-(1,3-dioxolan-2-yl)-4-oxo-2-prop-2-enylhexanoate?
The canonical SMILES for prop-2-enyl 6-(1,3-dioxolan-2-yl)-4-oxo-2-prop-2-enylhexanoate is C=CCOC(=O)C(CC=C)CC(=O)CCC1OCCO1.
What is the InChIKey of prop-2-enyl 6-(1,3-dioxolan-2-yl)-4-oxo-2-prop-2-enylhexanoate?
The InChIKey is JZXOJORRXYGXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-3-5-12(15(17)20-8-4-2)11-13(16)6-7-14-18-9-10-19-14/h3-4,12,14H,1-2,5-11H2.
What are the key properties of prop-2-enyl 6-(1,3-dioxolan-2-yl)-4-oxo-2-prop-2-enylhexanoate?
prop-2-enyl 6-(1,3-dioxolan-2-yl)-4-oxo-2-prop-2-enylhexanoate has a molecular weight of 282.34 g/mol, XLogP of 2.02, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 6-(1,3-dioxolan-2-yl)-4-oxo-2-prop-2-enylhexanoate is sourced from PubChem (CID 135070668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).