cycloocta-1,5-diene;cyclopenta-1,3-diene

C13H18 — CID 158343600

IUPACcycloocta-1,5-diene;cyclopenta-1,3-diene
SMILESC1=CCC=C1.C1=CCCC=CCC1
InChIInChI=1S/C8H12.C5H6/c1-2-4-6-8-7-5-3-1;1-2-4-5-3-1/h1-2,7-8H,3-6H2;1-4H,5H2
InChIKeyGRLLUQUVFGNADO-UHFFFAOYSA-N
MW174.29 g/mol
LogP4.18
Rot. Bonds

About cycloocta-1,5-diene;cyclopenta-1,3-diene

cycloocta-1,5-diene;cyclopenta-1,3-diene (PubChem CID 158343600) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is cycloocta-1,5-diene;cyclopenta-1,3-diene.

Molecular Properties

Compound Namecycloocta-1,5-diene;cyclopenta-1,3-diene
PubChem CID158343600
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Namecycloocta-1,5-diene;cyclopenta-1,3-diene
SMILESC1=CCC=C1.C1=CCCC=CCC1
InChIInChI=1S/C8H12.C5H6/c1-2-4-6-8-7-5-3-1;1-2-4-5-3-1/h1-2,7-8H,3-6H2;1-4H,5H2
InChIKeyGRLLUQUVFGNADO-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.18
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

(1Z,3E,6Z,10Z)-cyclododeca-1,3,6,10-tetraene
CID 173030637
(1E,3Z)-cyclonona-1,3,6-triene
CID 173030680
(1E,6E)-cyclotrideca-1,3,6,10-tetraene
CID 91188209
(1Z,3Z)-cyclonona-1,3,6-triene
CID 172705596
(1E,3Z,5E,8E)-cyclotetradeca-1,3,5,8,11-pentaene
CID 173030944
(1Z,3E,5Z,7E)-cyclotrideca-1,3,5,7,10-pentaene
CID 173030820
(1Z,3E,5Z,8Z)-cyclotetradeca-1,3,5,8,11-pentaene
CID 173044042
(3Z,5E,7E,10Z)-cyclotrideca-1,3,5,7,10-pentaene
CID 173044026
(1E,3Z,5E,11Z)-cyclotetradeca-1,3,5,8,11-pentaene
CID 173030681
(1Z,3Z,5E)-cycloundeca-1,3,5,8-tetraene
CID 173044022
(1Z,8E,10Z)-cyclotrideca-1,3,5,8,10-pentaene
CID 173044061
(1E,3Z,5E)-cyclotrideca-1,3,5,8,10-pentaene
CID 173043875

Frequently Asked Questions

What is the IUPAC name of cycloocta-1,5-diene;cyclopenta-1,3-diene?
The IUPAC name of cycloocta-1,5-diene;cyclopenta-1,3-diene (CID 158343600) is cycloocta-1,5-diene;cyclopenta-1,3-diene.
What is the SMILES notation for cycloocta-1,5-diene;cyclopenta-1,3-diene?
The canonical SMILES for cycloocta-1,5-diene;cyclopenta-1,3-diene is C1=CCC=C1.C1=CCCC=CCC1.
What is the InChIKey of cycloocta-1,5-diene;cyclopenta-1,3-diene?
The InChIKey is GRLLUQUVFGNADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.C5H6/c1-2-4-6-8-7-5-3-1;1-2-4-5-3-1/h1-2,7-8H,3-6H2;1-4H,5H2.
What are the key properties of cycloocta-1,5-diene;cyclopenta-1,3-diene?
cycloocta-1,5-diene;cyclopenta-1,3-diene has a molecular weight of 174.29 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocta-1,5-diene;cyclopenta-1,3-diene is sourced from PubChem (CID 158343600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).