hexadeca-3,6,9-triene

C16H28 — CID 56627141

IUPAChexadeca-3,6,9-triene
SMILESCCC=CCC=CCC=CCCCCCC
InChIInChI=1S/C16H28/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h5,7,11,13-14,16H,3-4,6,8-10,12,15H2,1-2H3
InChIKeyXIOMYUYIOZJQJL-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.82
Rot. Bonds10

About hexadeca-3,6,9-triene

hexadeca-3,6,9-triene (PubChem CID 56627141) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is hexadeca-3,6,9-triene.

Molecular Properties

Compound Namehexadeca-3,6,9-triene
PubChem CID56627141
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Namehexadeca-3,6,9-triene
SMILESCCC=CCC=CCC=CCCCCCC
InChIInChI=1S/C16H28/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h5,7,11,13-14,16H,3-4,6,8-10,12,15H2,1-2H3
InChIKeyXIOMYUYIOZJQJL-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.82
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

henicosa-3,6-diene
CID 72727393
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719
(3Z,12Z,15Z)-tricosa-3,12,15-triene
CID 174109859
heptadeca-3,6,12-triene
CID 54220025
(E)-nonacos-3-ene
CID 22172230
(3Z,11Z)-heptadeca-3,11-diene
CID 91750518
octacos-3-ene
CID 54171253
(Z)-tridec-3-ene
CID 5362711
(E)-octadec-3-ene
CID 5365984
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
(E)-heptadec-3-ene
CID 5352250

Frequently Asked Questions

What is the IUPAC name of hexadeca-3,6,9-triene?
The IUPAC name of hexadeca-3,6,9-triene (CID 56627141) is hexadeca-3,6,9-triene.
What is the SMILES notation for hexadeca-3,6,9-triene?
The canonical SMILES for hexadeca-3,6,9-triene is CCC=CCC=CCC=CCCCCCC.
What is the InChIKey of hexadeca-3,6,9-triene?
The InChIKey is XIOMYUYIOZJQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h5,7,11,13-14,16H,3-4,6,8-10,12,15H2,1-2H3.
What are the key properties of hexadeca-3,6,9-triene?
hexadeca-3,6,9-triene has a molecular weight of 220.40 g/mol, XLogP of 5.82, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadeca-3,6,9-triene is sourced from PubChem (CID 56627141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).