octadeca-1,3,5,7,9,11,13,15,17-nonaene

C18H20 — CID 71447215

IUPACoctadeca-1,3,5,7,9,11,13,15,17-nonaene
SMILESC=CC=CC=CC=CC=CC=CC=CC=CC=C
InChIInChI=1S/C18H20/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H,1-2H2
InChIKeyWKVJZDZQEMUPHN-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.25
Rot. Bonds8

About octadeca-1,3,5,7,9,11,13,15,17-nonaene

octadeca-1,3,5,7,9,11,13,15,17-nonaene (PubChem CID 71447215) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is octadeca-1,3,5,7,9,11,13,15,17-nonaene.

Molecular Properties

Compound Nameoctadeca-1,3,5,7,9,11,13,15,17-nonaene
PubChem CID71447215
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Nameoctadeca-1,3,5,7,9,11,13,15,17-nonaene
SMILESC=CC=CC=CC=CC=CC=CC=CC=CC=C
InChIInChI=1S/C18H20/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H,1-2H2
InChIKeyWKVJZDZQEMUPHN-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of octadeca-1,3,5,7,9,11,13,15,17-nonaene?
The IUPAC name of octadeca-1,3,5,7,9,11,13,15,17-nonaene (CID 71447215) is octadeca-1,3,5,7,9,11,13,15,17-nonaene.
What is the SMILES notation for octadeca-1,3,5,7,9,11,13,15,17-nonaene?
The canonical SMILES for octadeca-1,3,5,7,9,11,13,15,17-nonaene is C=CC=CC=CC=CC=CC=CC=CC=CC=C.
What is the InChIKey of octadeca-1,3,5,7,9,11,13,15,17-nonaene?
The InChIKey is WKVJZDZQEMUPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H,1-2H2.
What are the key properties of octadeca-1,3,5,7,9,11,13,15,17-nonaene?
octadeca-1,3,5,7,9,11,13,15,17-nonaene has a molecular weight of 236.36 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octadeca-1,3,5,7,9,11,13,15,17-nonaene is sourced from PubChem (CID 71447215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).