cobalt;cycloocta-1,3-diene;cyclopenta-1,3-diene;formaldehyde;prop-1-ene

C19H28Co2O3-2 — CID 173123444

IUPACcobalt;cycloocta-1,3-diene;cyclopenta-1,3-diene;formaldehyde;prop-1-ene
SMILESC1=CCCCCC=C1.C=C[CH2-].C=O.C=O.C=O.[C-]1=CC=CC1.[Co].[Co]
InChIInChI=1S/C8H12.C5H5.C3H5.3CH2O.2Co/c1-2-4-6-8-7-5-3-1;1-2-4-5-3-1;1-3-2;3*1-2;;/h1-4H,5-8H2;1-3H,4H2;3H,1-2H2;3*1H2;;/q;2*-1;;;;;
InChIKeyVLKRQPPNDPIOHW-UHFFFAOYSA-N
MW422.30 g/mol
LogP4.43
Rot. Bonds

About cobalt;cycloocta-1,3-diene;cyclopenta-1,3-diene;formaldehyde;prop-1-ene

cobalt;cycloocta-1,3-diene;cyclopenta-1,3-diene;formaldehyde;prop-1-ene (PubChem CID 173123444) has the molecular formula C19H28Co2O3-2 and a molecular weight of 422.30 g/mol. Its IUPAC name is cobalt;cycloocta-1,3-diene;cyclopenta-1,3-diene;formaldehyde;prop-1-ene.

Molecular Properties

Compound Namecobalt;cycloocta-1,3-diene;cyclopenta-1,3-diene;formaldehyde;prop-1-ene
PubChem CID173123444
Molecular FormulaC19H28Co2O3-2
Molecular Weight422.30 g/mol
Exact Mass422.07
IUPAC Namecobalt;cycloocta-1,3-diene;cyclopenta-1,3-diene;formaldehyde;prop-1-ene
SMILESC1=CCCCCC=C1.C=C[CH2-].C=O.C=O.C=O.[C-]1=CC=CC1.[Co].[Co]
InChIInChI=1S/C8H12.C5H5.C3H5.3CH2O.2Co/c1-2-4-6-8-7-5-3-1;1-2-4-5-3-1;1-3-2;3*1-2;;/h1-4H,5-8H2;1-3H,4H2;3H,1-2H2;3*1H2;;/q;2*-1;;;;;
InChIKeyVLKRQPPNDPIOHW-UHFFFAOYSA-N
XLogP4.43
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.30
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cobalt;cycloocta-1,3-diene;cyclopenta-1,3-diene;formaldehyde;prop-1-ene?
The IUPAC name of cobalt;cycloocta-1,3-diene;cyclopenta-1,3-diene;formaldehyde;prop-1-ene (CID 173123444) is cobalt;cycloocta-1,3-diene;cyclopenta-1,3-diene;formaldehyde;prop-1-ene.
What is the SMILES notation for cobalt;cycloocta-1,3-diene;cyclopenta-1,3-diene;formaldehyde;prop-1-ene?
The canonical SMILES for cobalt;cycloocta-1,3-diene;cyclopenta-1,3-diene;formaldehyde;prop-1-ene is C1=CCCCCC=C1.C=C[CH2-].C=O.C=O.C=O.[C-]1=CC=CC1.[Co].[Co].
What is the InChIKey of cobalt;cycloocta-1,3-diene;cyclopenta-1,3-diene;formaldehyde;prop-1-ene?
The InChIKey is VLKRQPPNDPIOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.C5H5.C3H5.3CH2O.2Co/c1-2-4-6-8-7-5-3-1;1-2-4-5-3-1;1-3-2;3*1-2;;/h1-4H,5-8H2;1-3H,4H2;3H,1-2H2;3*1H2;;/q;2*-1;;;;;.
What are the key properties of cobalt;cycloocta-1,3-diene;cyclopenta-1,3-diene;formaldehyde;prop-1-ene?
cobalt;cycloocta-1,3-diene;cyclopenta-1,3-diene;formaldehyde;prop-1-ene has a molecular weight of 422.30 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;cycloocta-1,3-diene;cyclopenta-1,3-diene;formaldehyde;prop-1-ene is sourced from PubChem (CID 173123444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).