5-O-[(E)-dec-4-enyl] 1-O-ethyl pentanedioate

C17H30O4 — CID 91694531

IUPAC5-O-[(E)-dec-4-enyl] 1-O-ethyl pentanedioate
SMILESCCCCC/C=C/CCCOC(=O)CCCC(=O)OCC
InChIInChI=1S/C17H30O4/c1-3-5-6-7-8-9-10-11-15-21-17(19)14-12-13-16(18)20-4-2/h8-9H,3-7,10-15H2,1-2H3/b9-8+
InChIKeyMYZRSEDJJZRPAR-CMDGGOBGSA-N
MW298.42 g/mol
LogP4.18
Rot. Bonds13

About 5-O-[(E)-dec-4-enyl] 1-O-ethyl pentanedioate

5-O-[(E)-dec-4-enyl] 1-O-ethyl pentanedioate (PubChem CID 91694531) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is 5-O-[(E)-dec-4-enyl] 1-O-ethyl pentanedioate.

Molecular Properties

Compound Name5-O-[(E)-dec-4-enyl] 1-O-ethyl pentanedioate
PubChem CID91694531
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Name5-O-[(E)-dec-4-enyl] 1-O-ethyl pentanedioate
SMILESCCCCC/C=C/CCCOC(=O)CCCC(=O)OCC
InChIInChI=1S/C17H30O4/c1-3-5-6-7-8-9-10-11-15-21-17(19)14-12-13-16(18)20-4-2/h8-9H,3-7,10-15H2,1-2H3/b9-8+
InChIKeyMYZRSEDJJZRPAR-CMDGGOBGSA-N
XLogP4.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 54.18
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'}

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Related Compounds

Icosapent Ethyl
CID 9831415
Ethyl arachidonate
CID 5367369
Lovaza
CID 9831414
5,8,11,14,17-Eicosapentaenoic acid, ethyl ester
CID 5353613
(5Z,8Z,11Z,14Z)-Ethyl icosa-5,8,11,14-tetraenoate
CID 15737
Pinolenic Acid ethyl ester
CID 35027734
Ethyl (Z,Z)-5,8-tetradecadienoate
CID 131752558
Methyl hexadeca-5,10-dienoate
CID 163047560
Ethyl (Z)-5-octenoate
CID 12525570
Ethyl icosa-5,8,11,14,17-pentaenoate
CID 3298
ethyl (Z)-dodec-5-enoate
CID 5708892
Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl cis-hex-3-enyl ester
CID 91697809

Frequently Asked Questions

What is the IUPAC name of 5-O-[(E)-dec-4-enyl] 1-O-ethyl pentanedioate?
The IUPAC name of 5-O-[(E)-dec-4-enyl] 1-O-ethyl pentanedioate (CID 91694531) is 5-O-[(E)-dec-4-enyl] 1-O-ethyl pentanedioate.
What is the SMILES notation for 5-O-[(E)-dec-4-enyl] 1-O-ethyl pentanedioate?
The canonical SMILES for 5-O-[(E)-dec-4-enyl] 1-O-ethyl pentanedioate is CCCCC/C=C/CCCOC(=O)CCCC(=O)OCC.
What is the InChIKey of 5-O-[(E)-dec-4-enyl] 1-O-ethyl pentanedioate?
The InChIKey is MYZRSEDJJZRPAR-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H30O4/c1-3-5-6-7-8-9-10-11-15-21-17(19)14-12-13-16(18)20-4-2/h8-9H,3-7,10-15H2,1-2H3/b9-8+.
What are the key properties of 5-O-[(E)-dec-4-enyl] 1-O-ethyl pentanedioate?
5-O-[(E)-dec-4-enyl] 1-O-ethyl pentanedioate has a molecular weight of 298.42 g/mol, XLogP of 4.18, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-[(E)-dec-4-enyl] 1-O-ethyl pentanedioate is sourced from PubChem (CID 91694531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).