4-cyclopenta-1,3-dien-1-ylcyclooctene

C13H18 — CID 163506625

IUPAC4-cyclopenta-1,3-dien-1-ylcyclooctene
SMILESC1=CCC(C2CC=CCCCC2)=C1
InChIInChI=1S/C13H18/c1-2-4-8-12(9-5-3-1)13-10-6-7-11-13/h2,4,6-7,10,12H,1,3,5,8-9,11H2
InChIKeyCZCKHFRIUCVUNI-UHFFFAOYSA-N
MW174.29 g/mol
LogP4.01
Rot. Bonds1

About 4-cyclopenta-1,3-dien-1-ylcyclooctene

4-cyclopenta-1,3-dien-1-ylcyclooctene (PubChem CID 163506625) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 4-cyclopenta-1,3-dien-1-ylcyclooctene.

Molecular Properties

Compound Name4-cyclopenta-1,3-dien-1-ylcyclooctene
PubChem CID163506625
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name4-cyclopenta-1,3-dien-1-ylcyclooctene
SMILESC1=CCC(C2CC=CCCCC2)=C1
InChIInChI=1S/C13H18/c1-2-4-8-12(9-5-3-1)13-10-6-7-11-13/h2,4,6-7,10,12H,1,3,5,8-9,11H2
InChIKeyCZCKHFRIUCVUNI-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.01
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)-3-cyclopenta-1,3-dien-1-ylcyclodecene
CID 163639530
1-cyclooctylcycloocta-1,3-diene
CID 154370011
1-cyclohexyl-6-cyclopenta-1,3-dien-1-ylcyclohexene
CID 90750865
3-cyclopenta-1,3-dien-1-ylbicyclo[3.1.0]hexane
CID 163850420
3-methyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene
CID 90700641
2,3,3a,4-tetrahydro-1H-indene;ethane-1,2-diol;titanium(2+);dichloride
CID 174467670
1-cyclohex-3-en-1-ylcyclohexa-1,4-diene
CID 123875821
1,2,3,4,4a,5-hexahydronaphthalen-1-amine
CID 139821666
1,2,3,4,4a,5-hexahydronaphthalen-1-ol
CID 91026557
3-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane
CID 70131758
2-methyl-2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan
CID 67599201
3-propan-2-yl-1,2,3,3a,4,5,6,7,8,9-decahydrocyclopenta[11]annulene
CID 91350597

Frequently Asked Questions

What is the IUPAC name of 4-cyclopenta-1,3-dien-1-ylcyclooctene?
The IUPAC name of 4-cyclopenta-1,3-dien-1-ylcyclooctene (CID 163506625) is 4-cyclopenta-1,3-dien-1-ylcyclooctene.
What is the SMILES notation for 4-cyclopenta-1,3-dien-1-ylcyclooctene?
The canonical SMILES for 4-cyclopenta-1,3-dien-1-ylcyclooctene is C1=CCC(C2CC=CCCCC2)=C1.
What is the InChIKey of 4-cyclopenta-1,3-dien-1-ylcyclooctene?
The InChIKey is CZCKHFRIUCVUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-2-4-8-12(9-5-3-1)13-10-6-7-11-13/h2,4,6-7,10,12H,1,3,5,8-9,11H2.
What are the key properties of 4-cyclopenta-1,3-dien-1-ylcyclooctene?
4-cyclopenta-1,3-dien-1-ylcyclooctene has a molecular weight of 174.29 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopenta-1,3-dien-1-ylcyclooctene is sourced from PubChem (CID 163506625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).