heptadeca-1,9,11,14-tetraene

C17H28 — CID 163014709

IUPACheptadeca-1,9,11,14-tetraene
SMILESC=CCCCCCCC=CC=CCC=CCC
InChIInChI=1S/C17H28/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,6,8,12,14,16-17H,1,4-5,7,9-11,13,15H2,2H3
InChIKeyZFSOYHNWYLNZIP-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.98
Rot. Bonds11

About heptadeca-1,9,11,14-tetraene

heptadeca-1,9,11,14-tetraene (PubChem CID 163014709) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is heptadeca-1,9,11,14-tetraene.

Molecular Properties

Compound Nameheptadeca-1,9,11,14-tetraene
PubChem CID163014709
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Nameheptadeca-1,9,11,14-tetraene
SMILESC=CCCCCCCC=CC=CCC=CCC
InChIInChI=1S/C17H28/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,6,8,12,14,16-17H,1,4-5,7,9-11,13,15H2,2H3
InChIKeyZFSOYHNWYLNZIP-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.98
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(12Z,14Z)-heptadeca-1,12,14-triene
CID 6443230
trideca-1,8,10-triene
CID 548898
trideca-1,10-diene
CID 54351837
(22Z,24Z)-hentriaconta-1,22,24-triene
CID 177463593
(10Z,13Z)-nonadeca-1,10,13-triene
CID 11832238
nonacosa-1,7,9,21-tetraene
CID 175853197
hexadeca-1,5,13-triene
CID 174048718
tetradeca-1,4,6-triene
CID 174048062
(6Z,9Z)-heptadeca-1,6,9-triene
CID 56936104
(7Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-7,9,12,15,18,21-hexaenoic acid
CID 131769829
pentadeca-1,7,10-triene
CID 174048702
pentadeca-1,3,12-triene
CID 174048351

Frequently Asked Questions

What is the IUPAC name of heptadeca-1,9,11,14-tetraene?
The IUPAC name of heptadeca-1,9,11,14-tetraene (CID 163014709) is heptadeca-1,9,11,14-tetraene.
What is the SMILES notation for heptadeca-1,9,11,14-tetraene?
The canonical SMILES for heptadeca-1,9,11,14-tetraene is C=CCCCCCCC=CC=CCC=CCC.
What is the InChIKey of heptadeca-1,9,11,14-tetraene?
The InChIKey is ZFSOYHNWYLNZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,6,8,12,14,16-17H,1,4-5,7,9-11,13,15H2,2H3.
What are the key properties of heptadeca-1,9,11,14-tetraene?
heptadeca-1,9,11,14-tetraene has a molecular weight of 232.41 g/mol, XLogP of 5.98, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptadeca-1,9,11,14-tetraene is sourced from PubChem (CID 163014709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).