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

C16H28O4 — CID 91694546

IUPAC4-O-[(E)-dec-4-enyl] 1-O-ethyl butanedioate
SMILESCCCCC/C=C/CCCOC(=O)CCC(=O)OCC
InChIInChI=1S/C16H28O4/c1-3-5-6-7-8-9-10-11-14-20-16(18)13-12-15(17)19-4-2/h8-9H,3-7,10-14H2,1-2H3/b9-8+
InChIKeyZESSYMHCPGIGOA-CMDGGOBGSA-N
MW284.40 g/mol
LogP3.79
Rot. Bonds12

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

4-O-[(E)-dec-4-enyl] 1-O-ethyl butanedioate (PubChem CID 91694546) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-O-[(E)-dec-4-enyl] 1-O-ethyl butanedioate.

Molecular Properties

Compound Name4-O-[(E)-dec-4-enyl] 1-O-ethyl butanedioate
PubChem CID91694546
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name4-O-[(E)-dec-4-enyl] 1-O-ethyl butanedioate
SMILESCCCCC/C=C/CCCOC(=O)CCC(=O)OCC
InChIInChI=1S/C16H28O4/c1-3-5-6-7-8-9-10-11-14-20-16(18)13-12-15(17)19-4-2/h8-9H,3-7,10-14H2,1-2H3/b9-8+
InChIKeyZESSYMHCPGIGOA-CMDGGOBGSA-N
XLogP3.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.79
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

Ethyl arachidonate
CID 5367369
Ethyl 4-decenoate, (4E)-
CID 5362583
Ethyl (Z)-4-decenoate
CID 5463488
Ethyl dec-4-enoate
CID 23834
Ethyl (4E)-4-tridecenoate
CID 10944557
Docosahexaenoic acid ethyl ester
CID 9831416
Methyl 4,7,10-hexadecatrienoate
CID 5365638
4E,10Z-Tetradecadienyl acetate
CID 11230513
4,7,10,13,16,19-Docosahexaenoic acid ethyl ester
CID 6381521
(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

Frequently Asked Questions

What is the IUPAC name of 4-O-[(E)-dec-4-enyl] 1-O-ethyl butanedioate?
The IUPAC name of 4-O-[(E)-dec-4-enyl] 1-O-ethyl butanedioate (CID 91694546) is 4-O-[(E)-dec-4-enyl] 1-O-ethyl butanedioate.
What is the SMILES notation for 4-O-[(E)-dec-4-enyl] 1-O-ethyl butanedioate?
The canonical SMILES for 4-O-[(E)-dec-4-enyl] 1-O-ethyl butanedioate is CCCCC/C=C/CCCOC(=O)CCC(=O)OCC.
What is the InChIKey of 4-O-[(E)-dec-4-enyl] 1-O-ethyl butanedioate?
The InChIKey is ZESSYMHCPGIGOA-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H28O4/c1-3-5-6-7-8-9-10-11-14-20-16(18)13-12-15(17)19-4-2/h8-9H,3-7,10-14H2,1-2H3/b9-8+.
What are the key properties of 4-O-[(E)-dec-4-enyl] 1-O-ethyl butanedioate?
4-O-[(E)-dec-4-enyl] 1-O-ethyl butanedioate has a molecular weight of 284.40 g/mol, XLogP of 3.79, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[(E)-dec-4-enyl] 1-O-ethyl butanedioate is sourced from PubChem (CID 91694546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).