2-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene

C13H16 — CID 151916060

IUPAC2-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene
SMILESC1=CC(C2=CCCCCC=C2)C=C1
InChIInChI=1S/C13H16/c1-2-4-8-12(9-5-3-1)13-10-6-7-11-13/h4,6-11,13H,1-3,5H2
InChIKeyXZCLBKZDFLQDIN-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.79
Rot. Bonds1

About 2-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene

2-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene (PubChem CID 151916060) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene
PubChem CID151916060
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name2-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene
SMILESC1=CC(C2=CCCCCC=C2)C=C1
InChIInChI=1S/C13H16/c1-2-4-8-12(9-5-3-1)13-10-6-7-11-13/h4,6-11,13H,1-3,5H2
InChIKeyXZCLBKZDFLQDIN-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclopenta-2,4-dien-1-ylcycloheptene
CID 163288981
1,2,3,10a-tetrahydrobenzo[8]annulene
CID 131884681
(1E,3Z)-2-bromocycloocta-1,3-diene
CID 14316947
cobalt;1-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene
CID 159396232
2,12-dimethylcycloicosa-1,3,5,8,10,13,15-heptaene
CID 162298979
(7aR)-2,7a-dihydro-1H-indene
CID 91327704
(6E)-2-methyl-3,4,5,10a-tetrahydro-1H-2-benzazocine
CID 177452177
6,7,8,8a-tetrahydro-2H-naphthalen-1-one
CID 57284912
(1E,3E)-cycloocta-1,3-diene
CID 6330372
(10Z)-7-phenyl-4a,9-dihydrobenzo[8]annulene
CID 145331638
(3Z)-2-(cyclononen-1-yl)cyclonona-1,3-diene
CID 173204255
6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine
CID 88997048

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene?
The IUPAC name of 2-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene (CID 151916060) is 2-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene is C1=CC(C2=CCCCCC=C2)C=C1.
What is the InChIKey of 2-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene?
The InChIKey is XZCLBKZDFLQDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-2-4-8-12(9-5-3-1)13-10-6-7-11-13/h4,6-11,13H,1-3,5H2.
What are the key properties of 2-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene?
2-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene has a molecular weight of 172.27 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene is sourced from PubChem (CID 151916060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).