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

C18H20 — CID 15379303

IUPAC(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
SMILESC=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=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/b7-5+,8-6+,11-9+,12-10+,15-13+,16-14+,18-17+
InChIKeyWKVJZDZQEMUPHN-LHWURSEJSA-N
MW236.36 g/mol
LogP5.25
Rot. Bonds8

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

(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene (PubChem CID 15379303) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is (3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene.

Molecular Properties

Compound Name(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
PubChem CID15379303
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
SMILESC=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=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/b7-5+,8-6+,11-9+,12-10+,15-13+,16-14+,18-17+
InChIKeyWKVJZDZQEMUPHN-LHWURSEJSA-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 (3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene?
The IUPAC name of (3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene (CID 15379303) is (3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene.
What is the SMILES notation for (3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene?
The canonical SMILES for (3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene is C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C.
What is the InChIKey of (3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene?
The InChIKey is WKVJZDZQEMUPHN-LHWURSEJSA-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/b7-5+,8-6+,11-9+,12-10+,15-13+,16-14+,18-17+.
What are the key properties of (3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene?
(3E,5E,7E,9E,11E,13E,15E)-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 (3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene is sourced from PubChem (CID 15379303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).