molecular iodine;1,2,3,4,5-pentamethylcyclopentane;tritioethane

C12H26I2 — CID 162298773

IUPACmolecular iodine;1,2,3,4,5-pentamethylcyclopentane;tritioethane
SMILESCC1C(C)C(C)C(C)C1C.II.[3H]CC
InChIInChI=1S/C10H20.C2H6.I2/c1-6-7(2)9(4)10(5)8(6)3;2*1-2/h6-10H,1-5H3;1-2H3;/i;1T;
InChIKeyKJFFOAHBDOYBHD-RZBWRYPDSA-N
MW426.16 g/mol
LogP5.98
Rot. Bonds

About molecular iodine;1,2,3,4,5-pentamethylcyclopentane;tritioethane

molecular iodine;1,2,3,4,5-pentamethylcyclopentane;tritioethane (PubChem CID 162298773) has the molecular formula C12H26I2 and a molecular weight of 426.16 g/mol. Its IUPAC name is molecular iodine;1,2,3,4,5-pentamethylcyclopentane;tritioethane.

Molecular Properties

Compound Namemolecular iodine;1,2,3,4,5-pentamethylcyclopentane;tritioethane
PubChem CID162298773
Molecular FormulaC12H26I2
Molecular Weight426.16 g/mol
Exact Mass426.02
IUPAC Namemolecular iodine;1,2,3,4,5-pentamethylcyclopentane;tritioethane
SMILESCC1C(C)C(C)C(C)C1C.II.[3H]CC
InChIInChI=1S/C10H20.C2H6.I2/c1-6-7(2)9(4)10(5)8(6)3;2*1-2/h6-10H,1-5H3;1-2H3;/i;1T;
InChIKeyKJFFOAHBDOYBHD-RZBWRYPDSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.16
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of molecular iodine;1,2,3,4,5-pentamethylcyclopentane;tritioethane?
The IUPAC name of molecular iodine;1,2,3,4,5-pentamethylcyclopentane;tritioethane (CID 162298773) is molecular iodine;1,2,3,4,5-pentamethylcyclopentane;tritioethane.
What is the SMILES notation for molecular iodine;1,2,3,4,5-pentamethylcyclopentane;tritioethane?
The canonical SMILES for molecular iodine;1,2,3,4,5-pentamethylcyclopentane;tritioethane is CC1C(C)C(C)C(C)C1C.II.[3H]CC.
What is the InChIKey of molecular iodine;1,2,3,4,5-pentamethylcyclopentane;tritioethane?
The InChIKey is KJFFOAHBDOYBHD-RZBWRYPDSA-N. The full InChI is InChI=1S/C10H20.C2H6.I2/c1-6-7(2)9(4)10(5)8(6)3;2*1-2/h6-10H,1-5H3;1-2H3;/i;1T;.
What are the key properties of molecular iodine;1,2,3,4,5-pentamethylcyclopentane;tritioethane?
molecular iodine;1,2,3,4,5-pentamethylcyclopentane;tritioethane has a molecular weight of 426.16 g/mol, XLogP of 5.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for molecular iodine;1,2,3,4,5-pentamethylcyclopentane;tritioethane is sourced from PubChem (CID 162298773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).