(1R)-1-(hydroxymethyl)-4-tritiobicyclo[3.1.0]hexan-2-ol

C7H12O2 — CID 58732479

IUPAC(1R)-1-(hydroxymethyl)-4-tritiobicyclo[3.1.0]hexan-2-ol
SMILES[3H]C1CC(O)[C@]2(CO)CC12
InChIInChI=1S/C7H12O2/c8-4-7-3-5(7)1-2-6(7)9/h5-6,8-9H,1-4H2/t5?,6?,7-/m0/s1/i1T/t1?,5?,6?,7-
InChIKeyGBDQFEIJQIONMV-RKHJNGJISA-N
MW130.18 g/mol
LogP0.14
Rot. Bonds1

About (1R)-1-(hydroxymethyl)-4-tritiobicyclo[3.1.0]hexan-2-ol

(1R)-1-(hydroxymethyl)-4-tritiobicyclo[3.1.0]hexan-2-ol (PubChem CID 58732479) has the molecular formula C7H12O2 and a molecular weight of 130.18 g/mol. Its IUPAC name is (1R)-1-(hydroxymethyl)-4-tritiobicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name(1R)-1-(hydroxymethyl)-4-tritiobicyclo[3.1.0]hexan-2-ol
PubChem CID58732479
Molecular FormulaC7H12O2
Molecular Weight130.18 g/mol
Exact Mass130.09
IUPAC Name(1R)-1-(hydroxymethyl)-4-tritiobicyclo[3.1.0]hexan-2-ol
SMILES[3H]C1CC(O)[C@]2(CO)CC12
InChIInChI=1S/C7H12O2/c8-4-7-3-5(7)1-2-6(7)9/h5-6,8-9H,1-4H2/t5?,6?,7-/m0/s1/i1T/t1?,5?,6?,7-
InChIKeyGBDQFEIJQIONMV-RKHJNGJISA-N
XLogP0.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.18
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(hydroxymethyl)-4-tritiobicyclo[3.1.0]hexan-2-ol?
The IUPAC name of (1R)-1-(hydroxymethyl)-4-tritiobicyclo[3.1.0]hexan-2-ol (CID 58732479) is (1R)-1-(hydroxymethyl)-4-tritiobicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for (1R)-1-(hydroxymethyl)-4-tritiobicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for (1R)-1-(hydroxymethyl)-4-tritiobicyclo[3.1.0]hexan-2-ol is [3H]C1CC(O)[C@]2(CO)CC12.
What is the InChIKey of (1R)-1-(hydroxymethyl)-4-tritiobicyclo[3.1.0]hexan-2-ol?
The InChIKey is GBDQFEIJQIONMV-RKHJNGJISA-N. The full InChI is InChI=1S/C7H12O2/c8-4-7-3-5(7)1-2-6(7)9/h5-6,8-9H,1-4H2/t5?,6?,7-/m0/s1/i1T/t1?,5?,6?,7-.
What are the key properties of (1R)-1-(hydroxymethyl)-4-tritiobicyclo[3.1.0]hexan-2-ol?
(1R)-1-(hydroxymethyl)-4-tritiobicyclo[3.1.0]hexan-2-ol has a molecular weight of 130.18 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 (1R)-1-(hydroxymethyl)-4-tritiobicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 58732479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).