potassium;tert-butylcyclopentane;cyclopentane;iron;sulfur trioxide

C14H27FeKO3S — CID 162280371

IUPACpotassium;tert-butylcyclopentane;cyclopentane;iron;sulfur trioxide
SMILESC1CCCC1.CC(C)(C)C1[CH-]CCC1.O=S(=O)=O.[Fe].[K+]
InChIInChI=1S/C9H17.C5H10.Fe.K.O3S/c1-9(2,3)8-6-4-5-7-8;1-2-4-5-3-1;;;1-4(2)3/h6,8H,4-5,7H2,1-3H3;1-5H2;;;/q-1;;;+1;
InChIKeyKTQHFUJBDFCJEL-UHFFFAOYSA-N
MW370.38 g/mol
LogP0.98
Rot. Bonds

About potassium;tert-butylcyclopentane;cyclopentane;iron;sulfur trioxide

potassium;tert-butylcyclopentane;cyclopentane;iron;sulfur trioxide (PubChem CID 162280371) has the molecular formula C14H27FeKO3S and a molecular weight of 370.38 g/mol. Its IUPAC name is potassium;tert-butylcyclopentane;cyclopentane;iron;sulfur trioxide.

Molecular Properties

Compound Namepotassium;tert-butylcyclopentane;cyclopentane;iron;sulfur trioxide
PubChem CID162280371
Molecular FormulaC14H27FeKO3S
Molecular Weight370.38 g/mol
Exact Mass370.07
IUPAC Namepotassium;tert-butylcyclopentane;cyclopentane;iron;sulfur trioxide
SMILESC1CCCC1.CC(C)(C)C1[CH-]CCC1.O=S(=O)=O.[Fe].[K+]
InChIInChI=1S/C9H17.C5H10.Fe.K.O3S/c1-9(2,3)8-6-4-5-7-8;1-2-4-5-3-1;;;1-4(2)3/h6,8H,4-5,7H2,1-3H3;1-5H2;;;/q-1;;;+1;
InChIKeyKTQHFUJBDFCJEL-UHFFFAOYSA-N
XLogP0.98
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;tert-butylcyclopentane;cyclopentane;iron;sulfur trioxide?
The IUPAC name of potassium;tert-butylcyclopentane;cyclopentane;iron;sulfur trioxide (CID 162280371) is potassium;tert-butylcyclopentane;cyclopentane;iron;sulfur trioxide.
What is the SMILES notation for potassium;tert-butylcyclopentane;cyclopentane;iron;sulfur trioxide?
The canonical SMILES for potassium;tert-butylcyclopentane;cyclopentane;iron;sulfur trioxide is C1CCCC1.CC(C)(C)C1[CH-]CCC1.O=S(=O)=O.[Fe].[K+].
What is the InChIKey of potassium;tert-butylcyclopentane;cyclopentane;iron;sulfur trioxide?
The InChIKey is KTQHFUJBDFCJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17.C5H10.Fe.K.O3S/c1-9(2,3)8-6-4-5-7-8;1-2-4-5-3-1;;;1-4(2)3/h6,8H,4-5,7H2,1-3H3;1-5H2;;;/q-1;;;+1;.
What are the key properties of potassium;tert-butylcyclopentane;cyclopentane;iron;sulfur trioxide?
potassium;tert-butylcyclopentane;cyclopentane;iron;sulfur trioxide has a molecular weight of 370.38 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;tert-butylcyclopentane;cyclopentane;iron;sulfur trioxide is sourced from PubChem (CID 162280371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).