1-O-dec-9-enyl 4-O-(2,2,3,3-tetrafluoropropyl) butanedioate

C17H26F4O4 — CID 91734872

IUPAC1-O-dec-9-enyl 4-O-(2,2,3,3-tetrafluoropropyl) butanedioate
SMILESC=CCCCCCCCCOC(=O)CCC(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C17H26F4O4/c1-2-3-4-5-6-7-8-9-12-24-14(22)10-11-15(23)25-13-17(20,21)16(18)19/h2,16H,1,3-13H2
InChIKeyRYLRIHVOOPEYHT-UHFFFAOYSA-N
MW370.38 g/mol
LogP4.67
Rot. Bonds15

About 1-O-dec-9-enyl 4-O-(2,2,3,3-tetrafluoropropyl) butanedioate

1-O-dec-9-enyl 4-O-(2,2,3,3-tetrafluoropropyl) butanedioate (PubChem CID 91734872) has the molecular formula C17H26F4O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 1-O-dec-9-enyl 4-O-(2,2,3,3-tetrafluoropropyl) butanedioate.

Molecular Properties

Compound Name1-O-dec-9-enyl 4-O-(2,2,3,3-tetrafluoropropyl) butanedioate
PubChem CID91734872
Molecular FormulaC17H26F4O4
Molecular Weight370.38 g/mol
Exact Mass370.18
IUPAC Name1-O-dec-9-enyl 4-O-(2,2,3,3-tetrafluoropropyl) butanedioate
SMILESC=CCCCCCCCCOC(=O)CCC(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C17H26F4O4/c1-2-3-4-5-6-7-8-9-12-24-14(22)10-11-15(23)25-13-17(20,21)16(18)19/h2,16H,1,3-13H2
InChIKeyRYLRIHVOOPEYHT-UHFFFAOYSA-N
XLogP4.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-O-dec-9-enyl 4-O-(2,2,3,3-tetrafluoropropyl) butanedioate?
The IUPAC name of 1-O-dec-9-enyl 4-O-(2,2,3,3-tetrafluoropropyl) butanedioate (CID 91734872) is 1-O-dec-9-enyl 4-O-(2,2,3,3-tetrafluoropropyl) butanedioate.
What is the SMILES notation for 1-O-dec-9-enyl 4-O-(2,2,3,3-tetrafluoropropyl) butanedioate?
The canonical SMILES for 1-O-dec-9-enyl 4-O-(2,2,3,3-tetrafluoropropyl) butanedioate is C=CCCCCCCCCOC(=O)CCC(=O)OCC(F)(F)C(F)F.
What is the InChIKey of 1-O-dec-9-enyl 4-O-(2,2,3,3-tetrafluoropropyl) butanedioate?
The InChIKey is RYLRIHVOOPEYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F4O4/c1-2-3-4-5-6-7-8-9-12-24-14(22)10-11-15(23)25-13-17(20,21)16(18)19/h2,16H,1,3-13H2.
What are the key properties of 1-O-dec-9-enyl 4-O-(2,2,3,3-tetrafluoropropyl) butanedioate?
1-O-dec-9-enyl 4-O-(2,2,3,3-tetrafluoropropyl) butanedioate has a molecular weight of 370.38 g/mol, XLogP of 4.67, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-dec-9-enyl 4-O-(2,2,3,3-tetrafluoropropyl) butanedioate is sourced from PubChem (CID 91734872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).