(12Z,14Z)-heptadeca-1,12,14-triene

C17H30 — CID 6443230

IUPAC(12Z,14Z)-heptadeca-1,12,14-triene
SMILESC=CCCCCCCCCC/C=C\C=C/CC
InChIInChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,6,8,10,12H,1,4-5,7,9,11,13-17H2,2H3/b8-6-,12-10-
InChIKeyPOHYFUCOZVIDFZ-CQSVFKTNSA-N
MW234.43 g/mol
LogP6.21
Rot. Bonds12

About (12Z,14Z)-heptadeca-1,12,14-triene

(12Z,14Z)-heptadeca-1,12,14-triene (PubChem CID 6443230) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is (12Z,14Z)-heptadeca-1,12,14-triene.

Molecular Properties

Compound Name(12Z,14Z)-heptadeca-1,12,14-triene
PubChem CID6443230
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name(12Z,14Z)-heptadeca-1,12,14-triene
SMILESC=CCCCCCCCCC/C=C\C=C/CC
InChIInChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,6,8,10,12H,1,4-5,7,9,11,13-17H2,2H3/b8-6-,12-10-
InChIKeyPOHYFUCOZVIDFZ-CQSVFKTNSA-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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

trideca-1,8,10-triene
CID 548898
heptadeca-1,9,11,14-tetraene
CID 163014709
(22Z,24Z)-hentriaconta-1,22,24-triene
CID 177463593
trideca-1,10-diene
CID 54351837
nonacosa-1,7,9,21-tetraene
CID 175853197
tetradeca-1,5,7-triene
CID 174048281
13-chlorotrideca-3,5-diene
CID 168861620
hexadeca-1,5,13-triene
CID 174048718
undeca-1,3-diene;undec-1-ene
CID 159743461
pentadeca-10,12-dien-1-ol
CID 71370409
(7E,9E)-dodeca-7,9-dienal
CID 5368951
pentadeca-1,3,12-triene
CID 174048351

Frequently Asked Questions

What is the IUPAC name of (12Z,14Z)-heptadeca-1,12,14-triene?
The IUPAC name of (12Z,14Z)-heptadeca-1,12,14-triene (CID 6443230) is (12Z,14Z)-heptadeca-1,12,14-triene.
What is the SMILES notation for (12Z,14Z)-heptadeca-1,12,14-triene?
The canonical SMILES for (12Z,14Z)-heptadeca-1,12,14-triene is C=CCCCCCCCCC/C=C\C=C/CC.
What is the InChIKey of (12Z,14Z)-heptadeca-1,12,14-triene?
The InChIKey is POHYFUCOZVIDFZ-CQSVFKTNSA-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/h3,6,8,10,12H,1,4-5,7,9,11,13-17H2,2H3/b8-6-,12-10-.
What are the key properties of (12Z,14Z)-heptadeca-1,12,14-triene?
(12Z,14Z)-heptadeca-1,12,14-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 (12Z,14Z)-heptadeca-1,12,14-triene is sourced from PubChem (CID 6443230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).