2-tritioadamantane

C10H16 — CID 21091204

IUPAC2-tritioadamantane
SMILES[3H]C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2/i1T
InChIKeyORILYTVJVMAKLC-CNRUNOGKSA-N
MW138.25 g/mol
LogP2.83
Rot. Bonds

About 2-tritioadamantane

2-tritioadamantane (PubChem CID 21091204) has the molecular formula C10H16 and a molecular weight of 138.25 g/mol. Its IUPAC name is 2-tritioadamantane.

Molecular Properties

Compound Name2-tritioadamantane
PubChem CID21091204
Molecular FormulaC10H16
Molecular Weight138.25 g/mol
Exact Mass138.13
IUPAC Name2-tritioadamantane
SMILES[3H]C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2/i1T
InChIKeyORILYTVJVMAKLC-CNRUNOGKSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-tritioadamantane?
The IUPAC name of 2-tritioadamantane (CID 21091204) is 2-tritioadamantane.
What is the SMILES notation for 2-tritioadamantane?
The canonical SMILES for 2-tritioadamantane is [3H]C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-tritioadamantane?
The InChIKey is ORILYTVJVMAKLC-CNRUNOGKSA-N. The full InChI is InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2/i1T.
What are the key properties of 2-tritioadamantane?
2-tritioadamantane has a molecular weight of 138.25 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tritioadamantane is sourced from PubChem (CID 21091204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).