cobalt;3-methanidylheptane

C8H17Co- — CID 154097431

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

About cobalt;3-methanidylheptane

cobalt;3-methanidylheptane (PubChem CID 154097431) has the molecular formula C8H17Co- and a molecular weight of 172.16 g/mol. Its IUPAC name is cobalt;3-methanidylheptane.

Molecular Properties

Compound Namecobalt;3-methanidylheptane
PubChem CID154097431
Molecular FormulaC8H17Co-
Molecular Weight172.16 g/mol
Exact Mass172.07
IUPAC Namecobalt;3-methanidylheptane
SMILES[CH2-]C(CC)CCCC.[Co]
InChIInChI=1S/C8H17.Co/c1-4-6-7-8(3)5-2;/h8H,3-7H2,1-2H3;/q-1;
InChIKeyHEURCIPCBMAYGV-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': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-methanidylheptane;zinc;hydrobromide
CID 90200578
trizinc;tris(3-methanidylheptane);phosphate
CID 158042505
lanthanum(3+);bis(3-methanidylheptane);phosphate
CID 175484799
carbamodithioic acid;3-methanidylheptane;zinc
CID 174796340
zinc;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;bis(3-methanidylheptane)
CID 87115211
zinc;3-methanidylheptane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174937719
butane;bis(dioxido(oxo)phosphanium);3-methanidylheptane;bis(neodymium(3+))
CID 158395562
zinc;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;3-methanidylheptane;2-methanidylpropane
CID 159416043
2-methylhexane;hydrochloride
CID 172797630
dibutyl-ethyl-methylphosphanium
CID 58444360
bis(3-methanidylpentane);tungsten(2+)
CID 58814797
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427

Frequently Asked Questions

What is the IUPAC name of cobalt;3-methanidylheptane?
The IUPAC name of cobalt;3-methanidylheptane (CID 154097431) is cobalt;3-methanidylheptane.
What is the SMILES notation for cobalt;3-methanidylheptane?
The canonical SMILES for cobalt;3-methanidylheptane is [CH2-]C(CC)CCCC.[Co].
What is the InChIKey of cobalt;3-methanidylheptane?
The InChIKey is HEURCIPCBMAYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17.Co/c1-4-6-7-8(3)5-2;/h8H,3-7H2,1-2H3;/q-1;.
What are the key properties of cobalt;3-methanidylheptane?
cobalt;3-methanidylheptane 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;3-methanidylheptane is sourced from PubChem (CID 154097431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).