(1S,2R,4R)-2-(hydroxymethyl)-4-tritiocyclopentan-1-ol

C6H12O2 — CID 134971334

IUPAC(1S,2R,4R)-2-(hydroxymethyl)-4-tritiocyclopentan-1-ol
SMILES[3H][C@@H]1C[C@H](CO)[C@@H](O)C1
InChIInChI=1S/C6H12O2/c7-4-5-2-1-3-6(5)8/h5-8H,1-4H2/t5-,6+/m1/s1/i1T/t1-,5-,6+
InChIKeyUADBLZFWTJHOJC-CRBJZFGLSA-N
MW118.17 g/mol
LogP0.14
Rot. Bonds1

About (1S,2R,4R)-2-(hydroxymethyl)-4-tritiocyclopentan-1-ol

(1S,2R,4R)-2-(hydroxymethyl)-4-tritiocyclopentan-1-ol (PubChem CID 134971334) has the molecular formula C6H12O2 and a molecular weight of 118.17 g/mol. Its IUPAC name is (1S,2R,4R)-2-(hydroxymethyl)-4-tritiocyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,4R)-2-(hydroxymethyl)-4-tritiocyclopentan-1-ol
PubChem CID134971334
Molecular FormulaC6H12O2
Molecular Weight118.17 g/mol
Exact Mass118.09
IUPAC Name(1S,2R,4R)-2-(hydroxymethyl)-4-tritiocyclopentan-1-ol
SMILES[3H][C@@H]1C[C@H](CO)[C@@H](O)C1
InChIInChI=1S/C6H12O2/c7-4-5-2-1-3-6(5)8/h5-8H,1-4H2/t5-,6+/m1/s1/i1T/t1-,5-,6+
InChIKeyUADBLZFWTJHOJC-CRBJZFGLSA-N
XLogP0.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.17
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-2-(hydroxymethyl)-4-tritiocyclopentan-1-ol?
The IUPAC name of (1S,2R,4R)-2-(hydroxymethyl)-4-tritiocyclopentan-1-ol (CID 134971334) is (1S,2R,4R)-2-(hydroxymethyl)-4-tritiocyclopentan-1-ol.
What is the SMILES notation for (1S,2R,4R)-2-(hydroxymethyl)-4-tritiocyclopentan-1-ol?
The canonical SMILES for (1S,2R,4R)-2-(hydroxymethyl)-4-tritiocyclopentan-1-ol is [3H][C@@H]1C[C@H](CO)[C@@H](O)C1.
What is the InChIKey of (1S,2R,4R)-2-(hydroxymethyl)-4-tritiocyclopentan-1-ol?
The InChIKey is UADBLZFWTJHOJC-CRBJZFGLSA-N. The full InChI is InChI=1S/C6H12O2/c7-4-5-2-1-3-6(5)8/h5-8H,1-4H2/t5-,6+/m1/s1/i1T/t1-,5-,6+.
What are the key properties of (1S,2R,4R)-2-(hydroxymethyl)-4-tritiocyclopentan-1-ol?
(1S,2R,4R)-2-(hydroxymethyl)-4-tritiocyclopentan-1-ol has a molecular weight of 118.17 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-2-(hydroxymethyl)-4-tritiocyclopentan-1-ol is sourced from PubChem (CID 134971334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).