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

C17H30O4 — CID 91701750

IUPAC4-O-[(E)-dec-4-enyl] 1-O-propyl butanedioate
SMILESCCCCC/C=C/CCCOC(=O)CCC(=O)OCCC
InChIInChI=1S/C17H30O4/c1-3-5-6-7-8-9-10-11-15-21-17(19)13-12-16(18)20-14-4-2/h8-9H,3-7,10-15H2,1-2H3/b9-8+
InChIKeyMIDVIBRETGJKOZ-CMDGGOBGSA-N
MW298.42 g/mol
LogP4.18
Rot. Bonds13

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

4-O-[(E)-dec-4-enyl] 1-O-propyl butanedioate (PubChem CID 91701750) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is 4-O-[(E)-dec-4-enyl] 1-O-propyl butanedioate.

Molecular Properties

Compound Name4-O-[(E)-dec-4-enyl] 1-O-propyl butanedioate
PubChem CID91701750
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Name4-O-[(E)-dec-4-enyl] 1-O-propyl butanedioate
SMILESCCCCC/C=C/CCCOC(=O)CCC(=O)OCCC
InChIInChI=1S/C17H30O4/c1-3-5-6-7-8-9-10-11-15-21-17(19)13-12-16(18)20-14-4-2/h8-9H,3-7,10-15H2,1-2H3/b9-8+
InChIKeyMIDVIBRETGJKOZ-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

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-propyl butanedioate?
The IUPAC name of 4-O-[(E)-dec-4-enyl] 1-O-propyl butanedioate (CID 91701750) is 4-O-[(E)-dec-4-enyl] 1-O-propyl butanedioate.
What is the SMILES notation for 4-O-[(E)-dec-4-enyl] 1-O-propyl butanedioate?
The canonical SMILES for 4-O-[(E)-dec-4-enyl] 1-O-propyl butanedioate is CCCCC/C=C/CCCOC(=O)CCC(=O)OCCC.
What is the InChIKey of 4-O-[(E)-dec-4-enyl] 1-O-propyl butanedioate?
The InChIKey is MIDVIBRETGJKOZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H30O4/c1-3-5-6-7-8-9-10-11-15-21-17(19)13-12-16(18)20-14-4-2/h8-9H,3-7,10-15H2,1-2H3/b9-8+.
What are the key properties of 4-O-[(E)-dec-4-enyl] 1-O-propyl butanedioate?
4-O-[(E)-dec-4-enyl] 1-O-propyl butanedioate 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 4-O-[(E)-dec-4-enyl] 1-O-propyl butanedioate is sourced from PubChem (CID 91701750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).