heptadeca-5,8,11-triene

C17H30 — CID 54101473

IUPACheptadeca-5,8,11-triene
SMILESCCCCC=CCC=CCC=CCCCCC
InChIInChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h9,11-12,14-15,17H,3-8,10,13,16H2,1-2H3
InChIKeyPUHVOPAPFZCQRL-UHFFFAOYSA-N
MW234.43 g/mol
LogP6.21
Rot. Bonds11

About heptadeca-5,8,11-triene

heptadeca-5,8,11-triene (PubChem CID 54101473) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is heptadeca-5,8,11-triene.

Molecular Properties

Compound Nameheptadeca-5,8,11-triene
PubChem CID54101473
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Nameheptadeca-5,8,11-triene
SMILESCCCCC=CCC=CCC=CCCCCC
InChIInChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h9,11-12,14-15,17H,3-8,10,13,16H2,1-2H3
InChIKeyPUHVOPAPFZCQRL-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
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

(5E,8E)-tetradeca-5,8-diene
CID 13430684
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
methane;(5Z,8Z,11Z,14Z)-nonadeca-5,8,11,14-tetraene
CID 159218033
(4Z,7Z)-hexadeca-4,7-diene
CID 140664011
heptadeca-3,6,12-triene
CID 54220025
nonadec-5-ene
CID 543596
docos-5-ene
CID 54227700
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719
docosa-4,7,11-triene
CID 141035180
hexadeca-3,6,9-triene
CID 56627141

Frequently Asked Questions

What is the IUPAC name of heptadeca-5,8,11-triene?
The IUPAC name of heptadeca-5,8,11-triene (CID 54101473) is heptadeca-5,8,11-triene.
What is the SMILES notation for heptadeca-5,8,11-triene?
The canonical SMILES for heptadeca-5,8,11-triene is CCCCC=CCC=CCC=CCCCCC.
What is the InChIKey of heptadeca-5,8,11-triene?
The InChIKey is PUHVOPAPFZCQRL-UHFFFAOYSA-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/h9,11-12,14-15,17H,3-8,10,13,16H2,1-2H3.
What are the key properties of heptadeca-5,8,11-triene?
heptadeca-5,8,11-triene has a molecular weight of 234.43 g/mol, XLogP of 6.21, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptadeca-5,8,11-triene is sourced from PubChem (CID 54101473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).