Cobalt;2-methylheptane

C₈H₁₇Co- — CID 170567086

About Cobalt;2-methylheptane

Cobalt;2-methylheptane (PubChem CID 170567086) has the molecular formula C₈H₁₇Co- and a molecular weight of 172.16 g/mol. Its IUPAC name is cobalt;2-methylheptane.

Molecular Properties

• Compound Name: Cobalt;2-methylheptane
• PubChem CID: 170567086
• Molecular Formula: C₈H₁₇Co-
• Molecular Weight: 172.16 g/mol
• Exact Mass: 172.07
• IUPAC Name: cobalt;2-methylheptane
• SMILES: [CH2-]CCCCC(C)C.[Co]
• InChI: InChI=1S/C8H17.Co/c1-4-5-6-7-8(2)3;/h8H,1,4-7H2,2-3H3;/q-1
• InChIKey: SKHXWAOXLSIUJO-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	172.16
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Cobalt;2-methylheptane?

The IUPAC name of Cobalt;2-methylheptane (CID 170567086) is cobalt;2-methylheptane.

What is the SMILES notation for Cobalt;2-methylheptane?

The canonical SMILES for Cobalt;2-methylheptane is [CH2-]CCCCC(C)C.[Co].

What is the InChIKey of Cobalt;2-methylheptane?

The InChIKey is SKHXWAOXLSIUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17.Co/c1-4-5-6-7-8(2)3;/h8H,1,4-7H2,2-3H3;/q-1;.

What are the key properties of Cobalt;2-methylheptane?

Cobalt;2-methylheptane has a molecular weight of 172.16 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Cobalt;2-methylheptane is sourced from PubChem (CID 170567086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 170567086 — identifiers, structure, computed properties (public domain)

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