cobalt;2-methylheptane

C8H18Co — CID 175521472

IUPACcobalt;2-methylheptane
SMILESCCCCCC(C)C.[Co]
InChIInChI=1S/C8H18.Co/c1-4-5-6-7-8(2)3;/h8H,4-7H2,1-3H3;
InChIKeyZQDANCTYKDPXNM-UHFFFAOYSA-N
MW173.16 g/mol
LogP3.22
Rot. Bonds4

About cobalt;2-methylheptane

cobalt;2-methylheptane (PubChem CID 175521472) has the molecular formula C8H18Co and a molecular weight of 173.16 g/mol. Its IUPAC name is cobalt;2-methylheptane.

Molecular Properties

Compound Namecobalt;2-methylheptane
PubChem CID175521472
Molecular FormulaC8H18Co
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Namecobalt;2-methylheptane
SMILESCCCCCC(C)C.[Co]
InChIInChI=1S/C8H18.Co/c1-4-5-6-7-8(2)3;/h8H,4-7H2,1-3H3;
InChIKeyZQDANCTYKDPXNM-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

mercury;2-methylheptane
CID 175108338
2-methylpentaoctacontane
CID 90745672
bis(2-methylheptane);propane
CID 158714851
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207
λ2-plumbane;2-methylheptane
CID 175297432
2-methyloctacosane
CID 519147
alumane;2-methyldecane
CID 174844655
lithium;hydride;2-methylheptane
CID 173040195
azane;2-methyloctadecane
CID 175414560
2-methylnonane;heptahydrofluoride
CID 160801749
2-methyltricosane;hydrate
CID 172783998

Frequently Asked Questions

What is the IUPAC name of cobalt;2-methylheptane?
The IUPAC name of cobalt;2-methylheptane (CID 175521472) is cobalt;2-methylheptane.
What is the SMILES notation for cobalt;2-methylheptane?
The canonical SMILES for cobalt;2-methylheptane is CCCCCC(C)C.[Co].
What is the InChIKey of cobalt;2-methylheptane?
The InChIKey is ZQDANCTYKDPXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.Co/c1-4-5-6-7-8(2)3;/h8H,4-7H2,1-3H3;.
What are the key properties of cobalt;2-methylheptane?
cobalt;2-methylheptane has a molecular weight of 173.16 g/mol, XLogP of 3.22, 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 175521472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).