hex-4-enyl (E)-non-7-enoate

C15H26O2 — CID 155355569

IUPAChex-4-enyl (E)-non-7-enoate
SMILESCC=CCCCOC(=O)CCCCC/C=C/C
InChIInChI=1S/C15H26O2/c1-3-5-7-9-10-11-13-15(16)17-14-12-8-6-4-2/h3-6H,7-14H2,1-2H3/b5-3+,6-4?
InChIKeyWEBBTKQNRDBWOH-UHMKDZKBSA-N
MW238.37 g/mol
LogP4.41
Rot. Bonds10

About hex-4-enyl (E)-non-7-enoate

hex-4-enyl (E)-non-7-enoate (PubChem CID 155355569) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is hex-4-enyl (E)-non-7-enoate.

Molecular Properties

Compound Namehex-4-enyl (E)-non-7-enoate
PubChem CID155355569
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Namehex-4-enyl (E)-non-7-enoate
SMILESCC=CCCCOC(=O)CCCCC/C=C/C
InChIInChI=1S/C15H26O2/c1-3-5-7-9-10-11-13-15(16)17-14-12-8-6-4-2/h3-6H,7-14H2,1-2H3/b5-3+,6-4?
InChIKeyWEBBTKQNRDBWOH-UHMKDZKBSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[(E)-pent-3-enyl] (E)-undec-9-enoate
CID 155355570
pent-3-enyl (E)-dodec-10-enoate
CID 155355573
butyl (E)-pentadec-13-enoate
CID 88959332
butyl (E)-dodec-10-enoate
CID 88959354
[(E)-hept-5-enyl] heptacosanoate
CID 102118801
2-hydroxyethyl (Z)-undec-9-enoate
CID 89085780
[(Z)-non-7-enyl] (E)-6-methyloct-6-enoate
CID 163319800
8-methylnonyl (E)-undec-9-enoate
CID 130425316
hexyl (E)-hept-5-enoate
CID 139695885
6-O-[(E)-dec-4-enyl] 1-O-dodecyl hexanedioate
CID 91715844
dodecyl (Z)-triacont-12-enoate
CID 170849367
[(Z)-hexadec-9-enyl] tritriacontanoate
CID 168953401

Frequently Asked Questions

What is the IUPAC name of hex-4-enyl (E)-non-7-enoate?
The IUPAC name of hex-4-enyl (E)-non-7-enoate (CID 155355569) is hex-4-enyl (E)-non-7-enoate.
What is the SMILES notation for hex-4-enyl (E)-non-7-enoate?
The canonical SMILES for hex-4-enyl (E)-non-7-enoate is CC=CCCCOC(=O)CCCCC/C=C/C.
What is the InChIKey of hex-4-enyl (E)-non-7-enoate?
The InChIKey is WEBBTKQNRDBWOH-UHMKDZKBSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-5-7-9-10-11-13-15(16)17-14-12-8-6-4-2/h3-6H,7-14H2,1-2H3/b5-3+,6-4?.
What are the key properties of hex-4-enyl (E)-non-7-enoate?
hex-4-enyl (E)-non-7-enoate has a molecular weight of 238.37 g/mol, XLogP of 4.41, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-4-enyl (E)-non-7-enoate is sourced from PubChem (CID 155355569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).