cobalt;hept-2-yne

C7H12Co — CID 174831630

IUPACcobalt;hept-2-yne
SMILESCC#CCCCC.[Co]
InChIInChI=1S/C7H12.Co/c1-3-5-7-6-4-2;/h3,5,7H2,1-2H3;
InChIKeyIWSQMWGQHLOUQN-UHFFFAOYSA-N
MW155.11 g/mol
LogP2.20
Rot. Bonds2

About cobalt;hept-2-yne

cobalt;hept-2-yne (PubChem CID 174831630) has the molecular formula C7H12Co and a molecular weight of 155.11 g/mol. Its IUPAC name is cobalt;hept-2-yne.

Molecular Properties

Compound Namecobalt;hept-2-yne
PubChem CID174831630
Molecular FormulaC7H12Co
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Namecobalt;hept-2-yne
SMILESCC#CCCCC.[Co]
InChIInChI=1S/C7H12.Co/c1-3-5-7-6-4-2;/h3,5,7H2,1-2H3;
InChIKeyIWSQMWGQHLOUQN-UHFFFAOYSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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tetradeca-4,9-diyne
CID 173328648
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CID 22224296
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CID 15451863
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CID 159540057
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CID 13112953
1-fluorohex-1-yne
CID 87549340
6-ethylsulfanylhex-2-yne
CID 91281812
henicos-8-yne
CID 22224321

Frequently Asked Questions

What is the IUPAC name of cobalt;hept-2-yne?
The IUPAC name of cobalt;hept-2-yne (CID 174831630) is cobalt;hept-2-yne.
What is the SMILES notation for cobalt;hept-2-yne?
The canonical SMILES for cobalt;hept-2-yne is CC#CCCCC.[Co].
What is the InChIKey of cobalt;hept-2-yne?
The InChIKey is IWSQMWGQHLOUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.Co/c1-3-5-7-6-4-2;/h3,5,7H2,1-2H3;.
What are the key properties of cobalt;hept-2-yne?
cobalt;hept-2-yne has a molecular weight of 155.11 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;hept-2-yne is sourced from PubChem (CID 174831630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).