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

C13H16Co — CID 159396232

IUPACcobalt;1-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene
SMILESC1=CCCCCC(C2C=CC=C2)=C1.[Co]
InChIInChI=1S/C13H16.Co/c1-2-4-8-12(9-5-3-1)13-10-6-7-11-13;/h2,4,6-8,10-11,13H,1,3,5,9H2;
InChIKeyLMTDMBPFNXSJRM-UHFFFAOYSA-N
MW231.20 g/mol
LogP3.78
Rot. Bonds1

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

cobalt;1-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene (PubChem CID 159396232) has the molecular formula C13H16Co and a molecular weight of 231.20 g/mol. Its IUPAC name is cobalt;1-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene.

Molecular Properties

Compound Namecobalt;1-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene
PubChem CID159396232
Molecular FormulaC13H16Co
Molecular Weight231.20 g/mol
Exact Mass231.06
IUPAC Namecobalt;1-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene
SMILESC1=CCCCCC(C2C=CC=C2)=C1.[Co]
InChIInChI=1S/C13H16.Co/c1-2-4-8-12(9-5-3-1)13-10-6-7-11-13;/h2,4,6-8,10-11,13H,1,3,5,9H2;
InChIKeyLMTDMBPFNXSJRM-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclopenta-2,4-dien-1-ylcycloheptene
CID 163288981
1-cyclooctylcycloocta-1,3-diene
CID 154370011
1-cyclodeca-1,3-dien-1-ylcyclodeca-1,3-diene
CID 54521470
(1E,3Z)-cycloocta-1,3-dien-1-amine
CID 22286865
tris([(1E,3Z)-cycloocta-1,3-dien-1-yl]methanol);iridium
CID 153325121
(1Z,3Z)-1-methylcyclodeca-1,3-diene
CID 142058765
1-methylcyclodeca-1,3-diene
CID 123810679
1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene
CID 153393902
2-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene
CID 151916060
cycloundeca-1,3-diene-1-carbaldehyde
CID 91339803
(1E,3Z)-N,N-dimethylcycloocta-1,3-dien-1-amine
CID 129236531
1-ethynylcyclonona-1,3-diene
CID 123985924

Frequently Asked Questions

What is the IUPAC name of cobalt;1-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene?
The IUPAC name of cobalt;1-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene (CID 159396232) is cobalt;1-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene.
What is the SMILES notation for cobalt;1-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene?
The canonical SMILES for cobalt;1-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene is C1=CCCCCC(C2C=CC=C2)=C1.[Co].
What is the InChIKey of cobalt;1-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene?
The InChIKey is LMTDMBPFNXSJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16.Co/c1-2-4-8-12(9-5-3-1)13-10-6-7-11-13;/h2,4,6-8,10-11,13H,1,3,5,9H2;.
What are the key properties of cobalt;1-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene?
cobalt;1-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene has a molecular weight of 231.20 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;1-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene is sourced from PubChem (CID 159396232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).