cyclohexadecaoctaene;ethene

C18H20 — CID 162303890

IUPACcyclohexadecaoctaene;ethene
SMILESC1=CC=CC=CC=CC=CC=CC=CC=C1.C=C
InChIInChI=1S/C16H16.C2H4/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1;1-2/h1-16H;1-2H2
InChIKeyQHQVNMPTGFKEJK-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.25
Rot. Bonds

About cyclohexadecaoctaene;ethene

cyclohexadecaoctaene;ethene (PubChem CID 162303890) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is cyclohexadecaoctaene;ethene.

Molecular Properties

Compound Namecyclohexadecaoctaene;ethene
PubChem CID162303890
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Namecyclohexadecaoctaene;ethene
SMILESC1=CC=CC=CC=CC=CC=CC=CC=C1.C=C
InChIInChI=1S/C16H16.C2H4/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1;1-2/h1-16H;1-2H2
InChIKeyQHQVNMPTGFKEJK-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cyclohexadecaoctaene
CID 6221721
cycloicosadecaene
CID 173020953
CID 161044599
CID 161044599
cerium;cyclooctatetraene
CID 159307386
CID 134902800
CID 134902800
CID 134902975
CID 134902975
benzene;ethene;sulfane
CID 174360698
benzene;ethene;pentahydrofluoride
CID 174370964
benzene;ethene;dihydrate
CID 174570417
CID 135000854
CID 135000854
azane;ethene
CID 172863164
ethene;methane
CID 158775947

Frequently Asked Questions

What is the IUPAC name of cyclohexadecaoctaene;ethene?
The IUPAC name of cyclohexadecaoctaene;ethene (CID 162303890) is cyclohexadecaoctaene;ethene.
What is the SMILES notation for cyclohexadecaoctaene;ethene?
The canonical SMILES for cyclohexadecaoctaene;ethene is C1=CC=CC=CC=CC=CC=CC=CC=C1.C=C.
What is the InChIKey of cyclohexadecaoctaene;ethene?
The InChIKey is QHQVNMPTGFKEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16.C2H4/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1;1-2/h1-16H;1-2H2.
What are the key properties of cyclohexadecaoctaene;ethene?
cyclohexadecaoctaene;ethene has a molecular weight of 236.36 g/mol, XLogP of 5.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexadecaoctaene;ethene is sourced from PubChem (CID 162303890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).