cobalt;hexa-1,3-diene

C6H10Co — CID 174676950

IUPACcobalt;hexa-1,3-diene
SMILESC=CC=CCC.[Co]
InChIInChI=1S/C6H10.Co/c1-3-5-6-4-2;/h3,5-6H,1,4H2,2H3;
InChIKeyWCGHVNODSHVYGF-UHFFFAOYSA-N
MW141.08 g/mol
LogP2.14
Rot. Bonds2

About cobalt;hexa-1,3-diene

cobalt;hexa-1,3-diene (PubChem CID 174676950) has the molecular formula C6H10Co and a molecular weight of 141.08 g/mol. Its IUPAC name is cobalt;hexa-1,3-diene.

Molecular Properties

Compound Namecobalt;hexa-1,3-diene
PubChem CID174676950
Molecular FormulaC6H10Co
Molecular Weight141.08 g/mol
Exact Mass141.01
IUPAC Namecobalt;hexa-1,3-diene
SMILESC=CC=CCC.[Co]
InChIInChI=1S/C6H10.Co/c1-3-5-6-4-2;/h3,5-6H,1,4H2,2H3;
InChIKeyWCGHVNODSHVYGF-UHFFFAOYSA-N
XLogP2.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.08
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

azanium;hexa-1,3-diene;chloride
CID 161298695
benzene;(3E)-hexa-1,3-diene
CID 173449950
benzene;ethane;(3Z)-hexa-1,3-diene
CID 145406592
ethane-1,2-diol;(3E)-hexa-1,3-diene
CID 87937572
icosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91364807
deca-1,3,5,7-tetraene
CID 54238998
(3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 173025188
docosa-1,3,5,7,9,11,13,15,17,19-decaene
CID 91543808
(3E,6E,9E,12E,15E)-octadeca-1,3,6,9,12,15-hexaene
CID 102331083
(5E)-octa-3,5-diene
CID 173104147
pentadeca-1,3,12-triene
CID 174048351
heptadeca-1,3,14-triene
CID 54251685

Frequently Asked Questions

What is the IUPAC name of cobalt;hexa-1,3-diene?
The IUPAC name of cobalt;hexa-1,3-diene (CID 174676950) is cobalt;hexa-1,3-diene.
What is the SMILES notation for cobalt;hexa-1,3-diene?
The canonical SMILES for cobalt;hexa-1,3-diene is C=CC=CCC.[Co].
What is the InChIKey of cobalt;hexa-1,3-diene?
The InChIKey is WCGHVNODSHVYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.Co/c1-3-5-6-4-2;/h3,5-6H,1,4H2,2H3;.
What are the key properties of cobalt;hexa-1,3-diene?
cobalt;hexa-1,3-diene has a molecular weight of 141.08 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;hexa-1,3-diene is sourced from PubChem (CID 174676950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).