(4E)-4-propylundeca-1,4-diene

C14H26 — CID 134903488

IUPAC(4E)-4-propylundeca-1,4-diene
SMILESC=CC/C(=C/CCCCCC)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/b14-13-
InChIKeyAAXVNYXTXOWTFJ-YPKPFQOOSA-N
MW194.36 g/mol
LogP5.26
Rot. Bonds9

About (4E)-4-propylundeca-1,4-diene

(4E)-4-propylundeca-1,4-diene (PubChem CID 134903488) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is (4E)-4-propylundeca-1,4-diene.

Molecular Properties

Compound Name(4E)-4-propylundeca-1,4-diene
PubChem CID134903488
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name(4E)-4-propylundeca-1,4-diene
SMILESC=CC/C(=C/CCCCCC)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/b14-13-
InChIKeyAAXVNYXTXOWTFJ-YPKPFQOOSA-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

Terpinolene
CID 11463
Myrcene
CID 31253
Farnesene
CID 5281516
2-Octene
CID 5364448
beta-Farnesene
CID 5281517
1-Methylcyclohexene
CID 11574
Undecene
CID 5364452
Decene
CID 5364559
Tridecene
CID 5364435
Germacrene B
CID 5281519
3-Undecene, (3E)-
CID 5362751
trans-5-Decene
CID 637820

Frequently Asked Questions

What is the IUPAC name of (4E)-4-propylundeca-1,4-diene?
The IUPAC name of (4E)-4-propylundeca-1,4-diene (CID 134903488) is (4E)-4-propylundeca-1,4-diene.
What is the SMILES notation for (4E)-4-propylundeca-1,4-diene?
The canonical SMILES for (4E)-4-propylundeca-1,4-diene is C=CC/C(=C/CCCCCC)CCC.
What is the InChIKey of (4E)-4-propylundeca-1,4-diene?
The InChIKey is AAXVNYXTXOWTFJ-YPKPFQOOSA-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/b14-13-.
What are the key properties of (4E)-4-propylundeca-1,4-diene?
(4E)-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 (4E)-4-propylundeca-1,4-diene is sourced from PubChem (CID 134903488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).