4-[(1E,9E)-10-(2-oxo-1,3-dioxolan-4-yl)deca-1,9-dienyl]-1,3-dioxolan-2-one

C16H22O6 — CID 118487549

IUPAC4-[(1E,9E)-10-(2-oxo-1,3-dioxolan-4-yl)deca-1,9-dienyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(/C=C/CCCCCC/C=C/C2COC(=O)O2)O1
InChIInChI=1S/C16H22O6/c17-15-19-11-13(21-15)9-7-5-3-1-2-4-6-8-10-14-12-20-16(18)22-14/h7-10,13-14H,1-6,11-12H2/b9-7+,10-8+
InChIKeyYQPGFKLHHHEICO-FIFLTTCUSA-N
MW310.35 g/mol
LogP3.51
Rot. Bonds9

About 4-[(1E,9E)-10-(2-oxo-1,3-dioxolan-4-yl)deca-1,9-dienyl]-1,3-dioxolan-2-one

4-[(1E,9E)-10-(2-oxo-1,3-dioxolan-4-yl)deca-1,9-dienyl]-1,3-dioxolan-2-one (PubChem CID 118487549) has the molecular formula C16H22O6 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-[(1E,9E)-10-(2-oxo-1,3-dioxolan-4-yl)deca-1,9-dienyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[(1E,9E)-10-(2-oxo-1,3-dioxolan-4-yl)deca-1,9-dienyl]-1,3-dioxolan-2-one
PubChem CID118487549
Molecular FormulaC16H22O6
Molecular Weight310.35 g/mol
Exact Mass310.14
IUPAC Name4-[(1E,9E)-10-(2-oxo-1,3-dioxolan-4-yl)deca-1,9-dienyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(/C=C/CCCCCC/C=C/C2COC(=O)O2)O1
InChIInChI=1S/C16H22O6/c17-15-19-11-13(21-15)9-7-5-3-1-2-4-6-8-10-14-12-20-16(18)22-14/h7-10,13-14H,1-6,11-12H2/b9-7+,10-8+
InChIKeyYQPGFKLHHHEICO-FIFLTTCUSA-N
XLogP3.51
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1E,9E)-10-(2-oxo-1,3-dioxolan-4-yl)deca-1,9-dienyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[(1E,9E)-10-(2-oxo-1,3-dioxolan-4-yl)deca-1,9-dienyl]-1,3-dioxolan-2-one (CID 118487549) is 4-[(1E,9E)-10-(2-oxo-1,3-dioxolan-4-yl)deca-1,9-dienyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[(1E,9E)-10-(2-oxo-1,3-dioxolan-4-yl)deca-1,9-dienyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[(1E,9E)-10-(2-oxo-1,3-dioxolan-4-yl)deca-1,9-dienyl]-1,3-dioxolan-2-one is O=C1OCC(/C=C/CCCCCC/C=C/C2COC(=O)O2)O1.
What is the InChIKey of 4-[(1E,9E)-10-(2-oxo-1,3-dioxolan-4-yl)deca-1,9-dienyl]-1,3-dioxolan-2-one?
The InChIKey is YQPGFKLHHHEICO-FIFLTTCUSA-N. The full InChI is InChI=1S/C16H22O6/c17-15-19-11-13(21-15)9-7-5-3-1-2-4-6-8-10-14-12-20-16(18)22-14/h7-10,13-14H,1-6,11-12H2/b9-7+,10-8+.
What are the key properties of 4-[(1E,9E)-10-(2-oxo-1,3-dioxolan-4-yl)deca-1,9-dienyl]-1,3-dioxolan-2-one?
4-[(1E,9E)-10-(2-oxo-1,3-dioxolan-4-yl)deca-1,9-dienyl]-1,3-dioxolan-2-one has a molecular weight of 310.35 g/mol, XLogP of 3.51, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,9E)-10-(2-oxo-1,3-dioxolan-4-yl)deca-1,9-dienyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 118487549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).