(6E,13E)-heptadeca-1,6,13-triene

C17H30 — CID 122203788

IUPAC(6E,13E)-heptadeca-1,6,13-triene
SMILESC=CCCC/C=C/CCCCC/C=C/CCC
InChIInChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,8,10-11,13H,1,4-7,9,12,14-17H2,2H3/b10-8+,13-11+
InChIKeyOWRUIXKWZBDTMG-HATNNVTISA-N
MW234.43 g/mol
LogP6.21
Rot. Bonds12

About (6E,13E)-heptadeca-1,6,13-triene

(6E,13E)-heptadeca-1,6,13-triene (PubChem CID 122203788) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is (6E,13E)-heptadeca-1,6,13-triene.

Molecular Properties

Compound Name(6E,13E)-heptadeca-1,6,13-triene
PubChem CID122203788
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name(6E,13E)-heptadeca-1,6,13-triene
SMILESC=CCCC/C=C/CCCCC/C=C/CCC
InChIInChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,8,10-11,13H,1,4-7,9,12,14-17H2,2H3/b10-8+,13-11+
InChIKeyOWRUIXKWZBDTMG-HATNNVTISA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 56.21
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

(11E)-pentadeca-1,11-diene
CID 15206768
tetradeca-1,10-diene
CID 141056381
tricosa-1,6-diene
CID 175196703
triaconta-1,19-diene
CID 54007897
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
pentacosa-1,16-diene
CID 57082437
pentaconta-1,25-diene
CID 90941740
hexadeca-1,10-diene
CID 56606054
(10E)-hexadeca-1,10-diene
CID 156743041
heptadeca-1,7-diene
CID 57204265
(7E)-heptadeca-1,7-diene
CID 19050683

Frequently Asked Questions

What is the IUPAC name of (6E,13E)-heptadeca-1,6,13-triene?
The IUPAC name of (6E,13E)-heptadeca-1,6,13-triene (CID 122203788) is (6E,13E)-heptadeca-1,6,13-triene.
What is the SMILES notation for (6E,13E)-heptadeca-1,6,13-triene?
The canonical SMILES for (6E,13E)-heptadeca-1,6,13-triene is C=CCCC/C=C/CCCCC/C=C/CCC.
What is the InChIKey of (6E,13E)-heptadeca-1,6,13-triene?
The InChIKey is OWRUIXKWZBDTMG-HATNNVTISA-N. The full InChI is InChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,8,10-11,13H,1,4-7,9,12,14-17H2,2H3/b10-8+,13-11+.
What are the key properties of (6E,13E)-heptadeca-1,6,13-triene?
(6E,13E)-heptadeca-1,6,13-triene has a molecular weight of 234.43 g/mol, XLogP of 6.21, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,13E)-heptadeca-1,6,13-triene is sourced from PubChem (CID 122203788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).