3-hydroxy-3-tritiocyclopentene-1-carboxylic acid

C6H8O3 — CID 72714102

IUPAC3-hydroxy-3-tritiocyclopentene-1-carboxylic acid
SMILES[3H]C1(O)C=C(C(=O)O)CC1
InChIInChI=1S/C6H8O3/c7-5-2-1-4(3-5)6(8)9/h3,5,7H,1-2H2,(H,8,9)/i5T
InChIKeyVKJGQKRRULDFCI-XHHURNKPSA-N
MW130.14 g/mol
LogP0.15
Rot. Bonds1

About 3-hydroxy-3-tritiocyclopentene-1-carboxylic acid

3-hydroxy-3-tritiocyclopentene-1-carboxylic acid (PubChem CID 72714102) has the molecular formula C6H8O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 3-hydroxy-3-tritiocyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-3-tritiocyclopentene-1-carboxylic acid
PubChem CID72714102
Molecular FormulaC6H8O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name3-hydroxy-3-tritiocyclopentene-1-carboxylic acid
SMILES[3H]C1(O)C=C(C(=O)O)CC1
InChIInChI=1S/C6H8O3/c7-5-2-1-4(3-5)6(8)9/h3,5,7H,1-2H2,(H,8,9)/i5T
InChIKeyVKJGQKRRULDFCI-XHHURNKPSA-N
XLogP0.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-tritiocyclopentene-1-carboxylic acid?
The IUPAC name of 3-hydroxy-3-tritiocyclopentene-1-carboxylic acid (CID 72714102) is 3-hydroxy-3-tritiocyclopentene-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-3-tritiocyclopentene-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-3-tritiocyclopentene-1-carboxylic acid is [3H]C1(O)C=C(C(=O)O)CC1.
What is the InChIKey of 3-hydroxy-3-tritiocyclopentene-1-carboxylic acid?
The InChIKey is VKJGQKRRULDFCI-XHHURNKPSA-N. The full InChI is InChI=1S/C6H8O3/c7-5-2-1-4(3-5)6(8)9/h3,5,7H,1-2H2,(H,8,9)/i5T.
What are the key properties of 3-hydroxy-3-tritiocyclopentene-1-carboxylic acid?
3-hydroxy-3-tritiocyclopentene-1-carboxylic acid has a molecular weight of 130.14 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-tritiocyclopentene-1-carboxylic acid is sourced from PubChem (CID 72714102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).