octadeca-5,6-diene

C18H34 — CID 141110817

IUPACoctadeca-5,6-diene
SMILESCCCCC=C=CCCCCCCCCCCC
InChIInChI=1S/C18H34/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h9,13H,3-8,10,12,14-18H2,1-2H3
InChIKeyNCELYWMZYNWNIY-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.81
Rot. Bonds13

About octadeca-5,6-diene

octadeca-5,6-diene (PubChem CID 141110817) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is octadeca-5,6-diene.

Molecular Properties

Compound Nameoctadeca-5,6-diene
PubChem CID141110817
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Nameoctadeca-5,6-diene
SMILESCCCCC=C=CCCCCCCCCCCC
InChIInChI=1S/C18H34/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h9,13H,3-8,10,12,14-18H2,1-2H3
InChIKeyNCELYWMZYNWNIY-UHFFFAOYSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

pentacosa-12,13-diene
CID 174365678
dodeca-3,4-diene
CID 91492112
octadeca-2,3-dien-1-ol
CID 138969077
bis(dec-1-ene);nonadeca-9,10-diene
CID 91436837
pentadeca-1,4,5-triene
CID 174394424
heptatriaconta-15,18,19-triene
CID 57100861
dodeca-4,5-dienenitrile
CID 121006720
dodeca-2,3-dienal
CID 11810769
2,2-dimethyltrideca-3,4-diene
CID 134994881
tetradeca-2,3-dienal
CID 25179784
pentacosa-2,3-dienenitrile
CID 175148775
pentacosa-1,2-diene
CID 91256364

Frequently Asked Questions

What is the IUPAC name of octadeca-5,6-diene?
The IUPAC name of octadeca-5,6-diene (CID 141110817) is octadeca-5,6-diene.
What is the SMILES notation for octadeca-5,6-diene?
The canonical SMILES for octadeca-5,6-diene is CCCCC=C=CCCCCCCCCCCC.
What is the InChIKey of octadeca-5,6-diene?
The InChIKey is NCELYWMZYNWNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h9,13H,3-8,10,12,14-18H2,1-2H3.
What are the key properties of octadeca-5,6-diene?
octadeca-5,6-diene has a molecular weight of 250.47 g/mol, XLogP of 6.81, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octadeca-5,6-diene is sourced from PubChem (CID 141110817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).