(1E)-cycloicosa-1,6-diene

C20H36 — CID 173214809

IUPAC(1E)-cycloicosa-1,6-diene
SMILESC1=CCCCCCCCCCCCCC/C=C/CCC1
InChIInChI=1S/C20H36/c1-2-4-6-8-10-12-14-16-18-20-19-17-15-13-11-9-7-5-3-1/h1-2,9,11H,3-8,10,12-20H2/b2-1+,11-9?
InChIKeyXILOKVLIIPGDSX-HSKOIEHPSA-N
MW276.51 g/mol
LogP7.35
Rot. Bonds

About (1E)-cycloicosa-1,6-diene

(1E)-cycloicosa-1,6-diene (PubChem CID 173214809) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is (1E)-cycloicosa-1,6-diene.

Molecular Properties

Compound Name(1E)-cycloicosa-1,6-diene
PubChem CID173214809
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name(1E)-cycloicosa-1,6-diene
SMILESC1=CCCCCCCCCCCCCC/C=C/CCC1
InChIInChI=1S/C20H36/c1-2-4-6-8-10-12-14-16-18-20-19-17-15-13-11-9-7-5-3-1/h1-2,9,11H,3-8,10,12-20H2/b2-1+,11-9?
InChIKeyXILOKVLIIPGDSX-HSKOIEHPSA-N
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 57.35
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

cyclotetradeca-1,6-diene
CID 90733243
(1E)-cyclooctadeca-1,8-diene
CID 173129359
cyclopentadecene
CID 5463009
(1E,8E)-cyclotetradeca-1,8-diene
CID 638080
(1Z,9E,17E)-cyclotetracosa-1,9,17-triene
CID 153422638
cyclopentadeca-1,7-diene
CID 154173092
(1Z,9E)-cyclooctadeca-1,9-diene
CID 143896650
(7Z)-cyclohexadeca-1,7-diene
CID 173129118
cyclobutane;cyclobutene;cycloheptane;cycloheptene;cyclohexane;cyclohexene;cyclooctane;cyclooctene;cyclopentane;cyclopentene;ethane
CID 159907930
(5E)-cyclotetradeca-1,5-diene
CID 173030551
cyclohexaconta-1,5,13,17,25,29,37,41,49,53-decaene
CID 23412584
(1E,5E)-cyclooctadeca-1,5-diene
CID 143896645

Frequently Asked Questions

What is the IUPAC name of (1E)-cycloicosa-1,6-diene?
The IUPAC name of (1E)-cycloicosa-1,6-diene (CID 173214809) is (1E)-cycloicosa-1,6-diene.
What is the SMILES notation for (1E)-cycloicosa-1,6-diene?
The canonical SMILES for (1E)-cycloicosa-1,6-diene is C1=CCCCCCCCCCCCCC/C=C/CCC1.
What is the InChIKey of (1E)-cycloicosa-1,6-diene?
The InChIKey is XILOKVLIIPGDSX-HSKOIEHPSA-N. The full InChI is InChI=1S/C20H36/c1-2-4-6-8-10-12-14-16-18-20-19-17-15-13-11-9-7-5-3-1/h1-2,9,11H,3-8,10,12-20H2/b2-1+,11-9?.
What are the key properties of (1E)-cycloicosa-1,6-diene?
(1E)-cycloicosa-1,6-diene has a molecular weight of 276.51 g/mol, XLogP of 7.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-cycloicosa-1,6-diene is sourced from PubChem (CID 173214809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).