(6Z,9Z)-heptadeca-1,6,9-triene

C17H30 — CID 56936104

IUPAC(6Z,9Z)-heptadeca-1,6,9-triene
SMILESC=CCCC/C=C\C/C=C\CCCCCCC
InChIInChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,11,13,16-17H,1,4-10,12,14-15H2,2H3/b13-11-,17-16-
InChIKeyWROSSQPPNOJBLO-BIXSNLIQSA-N
MW234.43 g/mol
LogP6.21
Rot. Bonds12

About (6Z,9Z)-heptadeca-1,6,9-triene

(6Z,9Z)-heptadeca-1,6,9-triene (PubChem CID 56936104) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is (6Z,9Z)-heptadeca-1,6,9-triene.

Molecular Properties

Compound Name(6Z,9Z)-heptadeca-1,6,9-triene
PubChem CID56936104
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name(6Z,9Z)-heptadeca-1,6,9-triene
SMILESC=CCCC/C=C\C/C=C\CCCCCCC
InChIInChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,11,13,16-17H,1,4-10,12,14-15H2,2H3/b13-11-,17-16-
InChIKeyWROSSQPPNOJBLO-BIXSNLIQSA-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

(10Z,13Z)-nonadeca-1,10,13-triene
CID 11832238
tricosa-1,6-diene
CID 175196703
pentadeca-1,7,10-triene
CID 174048702
pentaconta-1,25-diene
CID 90941740
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
pentacosa-1,16-diene
CID 57082437
triaconta-1,19-diene
CID 54007897
heptadeca-1,7-diene
CID 57204265
hexadeca-1,10-diene
CID 56606054
(10E)-hexadeca-1,10-diene
CID 156743041
(7E)-heptadeca-1,7-diene
CID 19050683

Frequently Asked Questions

What is the IUPAC name of (6Z,9Z)-heptadeca-1,6,9-triene?
The IUPAC name of (6Z,9Z)-heptadeca-1,6,9-triene (CID 56936104) is (6Z,9Z)-heptadeca-1,6,9-triene.
What is the SMILES notation for (6Z,9Z)-heptadeca-1,6,9-triene?
The canonical SMILES for (6Z,9Z)-heptadeca-1,6,9-triene is C=CCCC/C=C\C/C=C\CCCCCCC.
What is the InChIKey of (6Z,9Z)-heptadeca-1,6,9-triene?
The InChIKey is WROSSQPPNOJBLO-BIXSNLIQSA-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/h3,11,13,16-17H,1,4-10,12,14-15H2,2H3/b13-11-,17-16-.
What are the key properties of (6Z,9Z)-heptadeca-1,6,9-triene?
(6Z,9Z)-heptadeca-1,6,9-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 (6Z,9Z)-heptadeca-1,6,9-triene is sourced from PubChem (CID 56936104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).