tert-butylcyclohexane;scandium

C10H19Sc- — CID 163823228

IUPACtert-butylcyclohexane;scandium
SMILESCC(C)(C)C1CC[CH-]CC1.[Sc]
InChIInChI=1S/C10H19.Sc/c1-10(2,3)9-7-5-4-6-8-9;/h4,9H,5-8H2,1-3H3;/q-1;
InChIKeyJLGXPTVVXXQEDQ-UHFFFAOYSA-N
MW184.22 g/mol
LogP3.42
Rot. Bonds

About tert-butylcyclohexane;scandium

tert-butylcyclohexane;scandium (PubChem CID 163823228) has the molecular formula C10H19Sc- and a molecular weight of 184.22 g/mol. Its IUPAC name is tert-butylcyclohexane;scandium.

Molecular Properties

Compound Nametert-butylcyclohexane;scandium
PubChem CID163823228
Molecular FormulaC10H19Sc-
Molecular Weight184.22 g/mol
Exact Mass184.11
IUPAC Nametert-butylcyclohexane;scandium
SMILESCC(C)(C)C1CC[CH-]CC1.[Sc]
InChIInChI=1S/C10H19.Sc/c1-10(2,3)9-7-5-4-6-8-9;/h4,9H,5-8H2,1-3H3;/q-1;
InChIKeyJLGXPTVVXXQEDQ-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 53.42
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

tert-butylcyclopentadecane
CID 164774831
1,4-ditert-butylcycloheptane
CID 58579546
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
4-tert-butylcyclohexan-1-ol;methane
CID 159612628
1,4-ditert-butylcyclohexane;bis(1,4-dimethylcyclohexane)
CID 158485591
1-tert-butyl-4-(trifluoromethyl)cyclohexane
CID 23233590
1-tert-butyl-4-methylcyclohexane;hydrobromide
CID 70497409
4-tert-butylphosphinane
CID 71329207
tert-butylcyclobutane;tert-butylcyclohexane;ethane
CID 167597631
CID 100975737
CID 100975737
2-(4-tert-butylcyclohexyl)oxirane
CID 104575962
1-tert-butyl-4-[(4-tert-butylcyclohexyl)methyl]cyclohexane
CID 59934768

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclohexane;scandium?
The IUPAC name of tert-butylcyclohexane;scandium (CID 163823228) is tert-butylcyclohexane;scandium.
What is the SMILES notation for tert-butylcyclohexane;scandium?
The canonical SMILES for tert-butylcyclohexane;scandium is CC(C)(C)C1CC[CH-]CC1.[Sc].
What is the InChIKey of tert-butylcyclohexane;scandium?
The InChIKey is JLGXPTVVXXQEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19.Sc/c1-10(2,3)9-7-5-4-6-8-9;/h4,9H,5-8H2,1-3H3;/q-1;.
What are the key properties of tert-butylcyclohexane;scandium?
tert-butylcyclohexane;scandium has a molecular weight of 184.22 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclohexane;scandium is sourced from PubChem (CID 163823228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).