5-O-pent-4-en-2-yl 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate

C13H18F4O4 — CID 91736584

IUPAC5-O-pent-4-en-2-yl 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate
SMILESC=CCC(C)OC(=O)CCCC(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C13H18F4O4/c1-3-5-9(2)21-11(19)7-4-6-10(18)20-8-13(16,17)12(14)15/h3,9,12H,1,4-8H2,2H3
InChIKeyGCPJXUWPHORBRI-UHFFFAOYSA-N
MW314.28 g/mol
LogP3.11
Rot. Bonds10

About 5-O-pent-4-en-2-yl 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate

5-O-pent-4-en-2-yl 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate (PubChem CID 91736584) has the molecular formula C13H18F4O4 and a molecular weight of 314.28 g/mol. Its IUPAC name is 5-O-pent-4-en-2-yl 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate.

Molecular Properties

Compound Name5-O-pent-4-en-2-yl 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate
PubChem CID91736584
Molecular FormulaC13H18F4O4
Molecular Weight314.28 g/mol
Exact Mass314.11
IUPAC Name5-O-pent-4-en-2-yl 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate
SMILESC=CCC(C)OC(=O)CCCC(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C13H18F4O4/c1-3-5-9(2)21-11(19)7-4-6-10(18)20-8-13(16,17)12(14)15/h3,9,12H,1,4-8H2,2H3
InChIKeyGCPJXUWPHORBRI-UHFFFAOYSA-N
XLogP3.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-O-pent-4-en-2-yl 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate?
The IUPAC name of 5-O-pent-4-en-2-yl 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate (CID 91736584) is 5-O-pent-4-en-2-yl 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate.
What is the SMILES notation for 5-O-pent-4-en-2-yl 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate?
The canonical SMILES for 5-O-pent-4-en-2-yl 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate is C=CCC(C)OC(=O)CCCC(=O)OCC(F)(F)C(F)F.
What is the InChIKey of 5-O-pent-4-en-2-yl 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate?
The InChIKey is GCPJXUWPHORBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F4O4/c1-3-5-9(2)21-11(19)7-4-6-10(18)20-8-13(16,17)12(14)15/h3,9,12H,1,4-8H2,2H3.
What are the key properties of 5-O-pent-4-en-2-yl 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate?
5-O-pent-4-en-2-yl 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate has a molecular weight of 314.28 g/mol, XLogP of 3.11, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-pent-4-en-2-yl 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate is sourced from PubChem (CID 91736584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).