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

trans-2-Pentene
CID 5326161
cis-2-PENTENE
CID 5326160
1,4-Hexadiene
CID 11599
Pent-2-ene
CID 12585
2,4-Hexadiene, 3-methyl-
CID 5367612
1,3-Pentadiene, 2-methyl-
CID 14238
trans-1,4-Hexadiene
CID 5365552
3-Hexene
CID 11601
1,3-Hexadiene
CID 39175
Cycloheptatriene
CID 11000
1,4-Hexadiene, (4Z)-
CID 5365553
trans-3-Hexene
CID 638066

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).