(3Z)-heptadeca-1,3,9-triene

C17H30 — CID 175589298

IUPAC(3Z)-heptadeca-1,3,9-triene
SMILESC=C/C=C\CCCCC=CCCCCCCC
InChIInChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,5,7,16-17H,1,4,6,8-15H2,2H3/b7-5-,17-16?
InChIKeyNRAIEXPQNUSNBE-SGDWFVEXSA-N
MW234.43 g/mol
LogP6.21
Rot. Bonds12

About (3Z)-heptadeca-1,3,9-triene

(3Z)-heptadeca-1,3,9-triene (PubChem CID 175589298) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is (3Z)-heptadeca-1,3,9-triene.

Molecular Properties

Compound Name(3Z)-heptadeca-1,3,9-triene
PubChem CID175589298
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name(3Z)-heptadeca-1,3,9-triene
SMILESC=C/C=C\CCCCC=CCCCCCCC
InChIInChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,5,7,16-17H,1,4,6,8-15H2,2H3/b7-5-,17-16?
InChIKeyNRAIEXPQNUSNBE-SGDWFVEXSA-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

hexadeca-1,3,8-triene
CID 174048674
undeca-1,3-diene;undec-1-ene
CID 159743461
dioxotitanium;tetradeca-1,3-diene
CID 174751058
hexacosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91421045
octadeca-1,3,5,7,9,11-hexaene
CID 90906281
tricosa-1,3,5,7-tetraene
CID 90704431
(3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene
CID 173021038
henicosa-1,3,5,7,9,11,13-heptaene
CID 90898845
(3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene
CID 173020960
hecta-1,3,5,7,9,11,13,15,17,19-decaene
CID 173395996
hexane;(11E)-tetradeca-11,13-dien-1-ol
CID 175020662
pentadeca-1,3,12-triene
CID 174048351

Frequently Asked Questions

What is the IUPAC name of (3Z)-heptadeca-1,3,9-triene?
The IUPAC name of (3Z)-heptadeca-1,3,9-triene (CID 175589298) is (3Z)-heptadeca-1,3,9-triene.
What is the SMILES notation for (3Z)-heptadeca-1,3,9-triene?
The canonical SMILES for (3Z)-heptadeca-1,3,9-triene is C=C/C=C\CCCCC=CCCCCCCC.
What is the InChIKey of (3Z)-heptadeca-1,3,9-triene?
The InChIKey is NRAIEXPQNUSNBE-SGDWFVEXSA-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/h3,5,7,16-17H,1,4,6,8-15H2,2H3/b7-5-,17-16?.
What are the key properties of (3Z)-heptadeca-1,3,9-triene?
(3Z)-heptadeca-1,3,9-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 (3Z)-heptadeca-1,3,9-triene is sourced from PubChem (CID 175589298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).