hexadeca-1,3,5,7,9,11,13,15-octaene

C16H18 — CID 71357788

IUPAChexadeca-1,3,5,7,9,11,13,15-octaene
SMILESC=CC=CC=CC=CC=CC=CC=CC=C
InChIInChI=1S/C16H18/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H,1-2H2
InChIKeyZQGYEIBCKXMBBP-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.70
Rot. Bonds7

About hexadeca-1,3,5,7,9,11,13,15-octaene

hexadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 71357788) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is hexadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Namehexadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID71357788
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Namehexadeca-1,3,5,7,9,11,13,15-octaene
SMILESC=CC=CC=CC=CC=CC=CC=CC=C
InChIInChI=1S/C16H18/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H,1-2H2
InChIKeyZQGYEIBCKXMBBP-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.70
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 hexadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of hexadeca-1,3,5,7,9,11,13,15-octaene (CID 71357788) is hexadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for hexadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for hexadeca-1,3,5,7,9,11,13,15-octaene is C=CC=CC=CC=CC=CC=CC=CC=C.
What is the InChIKey of hexadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is ZQGYEIBCKXMBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H,1-2H2.
What are the key properties of hexadeca-1,3,5,7,9,11,13,15-octaene?
hexadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 210.32 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 71357788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).