cobalt;1,1,3-trimethylcyclohexane

C9H18Co — CID 70372264

IUPACcobalt;1,1,3-trimethylcyclohexane
SMILESCC1CCCC(C)(C)C1.[Co]
InChIInChI=1S/C9H18.Co/c1-8-5-4-6-9(2,3)7-8;/h8H,4-7H2,1-3H3;
InChIKeyYNIMHBLJXPKHHJ-UHFFFAOYSA-N
MW185.18 g/mol
LogP3.22
Rot. Bonds

About cobalt;1,1,3-trimethylcyclohexane

cobalt;1,1,3-trimethylcyclohexane (PubChem CID 70372264) has the molecular formula C9H18Co and a molecular weight of 185.18 g/mol. Its IUPAC name is cobalt;1,1,3-trimethylcyclohexane.

Molecular Properties

Compound Namecobalt;1,1,3-trimethylcyclohexane
PubChem CID70372264
Molecular FormulaC9H18Co
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Namecobalt;1,1,3-trimethylcyclohexane
SMILESCC1CCCC(C)(C)C1.[Co]
InChIInChI=1S/C9H18.Co/c1-8-5-4-6-9(2,3)7-8;/h8H,4-7H2,1-3H3;
InChIKeyYNIMHBLJXPKHHJ-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cobalt;1,1,3-trimethylcyclohexane?
The IUPAC name of cobalt;1,1,3-trimethylcyclohexane (CID 70372264) is cobalt;1,1,3-trimethylcyclohexane.
What is the SMILES notation for cobalt;1,1,3-trimethylcyclohexane?
The canonical SMILES for cobalt;1,1,3-trimethylcyclohexane is CC1CCCC(C)(C)C1.[Co].
What is the InChIKey of cobalt;1,1,3-trimethylcyclohexane?
The InChIKey is YNIMHBLJXPKHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.Co/c1-8-5-4-6-9(2,3)7-8;/h8H,4-7H2,1-3H3;.
What are the key properties of cobalt;1,1,3-trimethylcyclohexane?
cobalt;1,1,3-trimethylcyclohexane has a molecular weight of 185.18 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;1,1,3-trimethylcyclohexane is sourced from PubChem (CID 70372264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).