cobalt;2-methylheptane

C8H17Co- — CID 170567086

IUPACcobalt;2-methylheptane
SMILES[CH2-]CCCCC(C)C.[Co]
InChIInChI=1S/C8H17.Co/c1-4-5-6-7-8(2)3;/h8H,1,4-7H2,2-3H3;/q-1;
InChIKeySKHXWAOXLSIUJO-UHFFFAOYSA-N
MW172.16 g/mol
LogP3.03
Rot. Bonds4

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 Namecobalt;2-methylheptane
PubChem CID170567086
Molecular FormulaC8H17Co-
Molecular Weight172.16 g/mol
Exact Mass172.07
IUPAC Namecobalt;2-methylheptane
SMILES[CH2-]CCCCC(C)C.[Co]
InChIInChI=1S/C8H17.Co/c1-4-5-6-7-8(2)3;/h8H,1,4-7H2,2-3H3;/q-1;
InChIKeySKHXWAOXLSIUJO-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tris(2-methylheptadecane);titanium(3+)
CID 23174974
magnesium;2-methylheptane;propane
CID 140617225
2-methylnonane;titanium;hydrate
CID 174186153
2-methyloctane;titanium(4+);trihydroxide
CID 174186181
tetrakis(2-methylhexane);titanium(4+)
CID 164789244
magnesium;butane;2-methylheptane
CID 154098905
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
zinc;butane;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;2-methylheptane
CID 174448716
cobalt;2-methylheptane
CID 175521472
2,7-dimethyloctane;2,4,6-trimethylheptane
CID 160877277

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).