pentadeca-2,6-diene

C15H28 — CID 165019979

IUPACpentadeca-2,6-diene
SMILESCC=CCCC=CCCCCCCCC
InChIInChI=1S/C15H28/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3,5,11,13H,4,6-10,12,14-15H2,1-2H3
InChIKeyLAADWCURNFZPJT-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.65
Rot. Bonds10

About pentadeca-2,6-diene

pentadeca-2,6-diene (PubChem CID 165019979) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is pentadeca-2,6-diene.

Molecular Properties

Compound Namepentadeca-2,6-diene
PubChem CID165019979
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Namepentadeca-2,6-diene
SMILESCC=CCCC=CCCCCCCCC
InChIInChI=1S/C15H28/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3,5,11,13H,4,6-10,12,14-15H2,1-2H3
InChIKeyLAADWCURNFZPJT-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.65
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

octadeca-2,10-diene
CID 54270716
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
(2Z,6E)-dodeca-2,6-diene;palladium
CID 158734810
(Z)-icos-2-ene
CID 5352524
pentadeca-2,10-diene
CID 174048350
(Z)-oct-2-ene
CID 5356796
sodium;hydride;octadec-2-ene
CID 175594563
oct-2-ene;hydrochloride
CID 86744102
(5E,9E)-nonacosa-5,9-diene
CID 56936191
heptadeca-5,9-diene
CID 123203573
(24Z)-hexatriaconta-9,24-diene
CID 173127472
triacont-12-ene
CID 54535715

Frequently Asked Questions

What is the IUPAC name of pentadeca-2,6-diene?
The IUPAC name of pentadeca-2,6-diene (CID 165019979) is pentadeca-2,6-diene.
What is the SMILES notation for pentadeca-2,6-diene?
The canonical SMILES for pentadeca-2,6-diene is CC=CCCC=CCCCCCCCC.
What is the InChIKey of pentadeca-2,6-diene?
The InChIKey is LAADWCURNFZPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3,5,11,13H,4,6-10,12,14-15H2,1-2H3.
What are the key properties of pentadeca-2,6-diene?
pentadeca-2,6-diene has a molecular weight of 208.39 g/mol, XLogP of 5.65, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentadeca-2,6-diene is sourced from PubChem (CID 165019979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).