4-propylundeca-1,4-diene

C14H26 — CID 175604845

IUPAC4-propylundeca-1,4-diene
SMILESC=CCC(=CCCCCCC)CCC
InChIInChI=1S/C14H26/c1-4-7-8-9-10-13-14(11-5-2)12-6-3/h5,13H,2,4,6-12H2,1,3H3
InChIKeyAAXVNYXTXOWTFJ-UHFFFAOYSA-N
MW194.36 g/mol
LogP5.26
Rot. Bonds9

About 4-propylundeca-1,4-diene

4-propylundeca-1,4-diene (PubChem CID 175604845) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 4-propylundeca-1,4-diene.

Molecular Properties

Compound Name4-propylundeca-1,4-diene
PubChem CID175604845
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name4-propylundeca-1,4-diene
SMILESC=CCC(=CCCCCCC)CCC
InChIInChI=1S/C14H26/c1-4-7-8-9-10-13-14(11-5-2)12-6-3/h5,13H,2,4,6-12H2,1,3H3
InChIKeyAAXVNYXTXOWTFJ-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.36
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

(4E)-4-propylundeca-1,4-diene
CID 134903488
13-oct-7-enyltriaconta-1,13-diene
CID 123204509
28-hexylpentaconta-1,28-diene
CID 90932256
19-tetradecylideneheptatriaconta-1,28-diene
CID 173321921
dec-1-ene;dodec-1-ene;19-pentadecylideneheptatriaconta-1,28-diene;undec-1-ene
CID 173410314
(5Z)-2-methylidene-6-propylnona-5,8-dien-1-imine
CID 167108317
(4Z)-4-ethylidenehept-1-ene
CID 12841273
4-prop-2-enylocta-1,4-diene
CID 173317146
6-ethyltridec-6-ene
CID 123238287
5-ethyltetradec-5-ene
CID 54129215
(Z)-7-ethyltetradec-7-ene
CID 134978641
6-but-3-enylundec-5-ene
CID 175604852

Frequently Asked Questions

What is the IUPAC name of 4-propylundeca-1,4-diene?
The IUPAC name of 4-propylundeca-1,4-diene (CID 175604845) is 4-propylundeca-1,4-diene.
What is the SMILES notation for 4-propylundeca-1,4-diene?
The canonical SMILES for 4-propylundeca-1,4-diene is C=CCC(=CCCCCCC)CCC.
What is the InChIKey of 4-propylundeca-1,4-diene?
The InChIKey is AAXVNYXTXOWTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-4-7-8-9-10-13-14(11-5-2)12-6-3/h5,13H,2,4,6-12H2,1,3H3.
What are the key properties of 4-propylundeca-1,4-diene?
4-propylundeca-1,4-diene has a molecular weight of 194.36 g/mol, XLogP of 5.26, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylundeca-1,4-diene is sourced from PubChem (CID 175604845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).