(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-ol

C6H10O2 — CID 98116091

IUPAC(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
SMILESO[C@@H]1CCC[C@H]2O[C@H]12
InChIInChI=1S/C6H10O2/c7-4-2-1-3-5-6(4)8-5/h4-7H,1-3H2/t4-,5-,6-/m1/s1
InChIKeyNTUQPJNKERXQPA-HSUXUTPPSA-N
MW114.14 g/mol
LogP0.30
Rot. Bonds

About (1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-ol

(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-ol (PubChem CID 98116091) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
PubChem CID98116091
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
SMILESO[C@@H]1CCC[C@H]2O[C@H]12
InChIInChI=1S/C6H10O2/c7-4-2-1-3-5-6(4)8-5/h4-7H,1-3H2/t4-,5-,6-/m1/s1
InChIKeyNTUQPJNKERXQPA-HSUXUTPPSA-N
XLogP0.30
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1S,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 10996994
(1R,2S,8S)-9-oxabicyclo[6.1.0]nonan-2-ol
CID 92974259
(1S,8R)-9-oxabicyclo[6.1.0]nonan-2-ol
CID 11435006
(1S,2R,5R,6R)-7-oxabicyclo[4.1.0]heptane-2,5-diol
CID 11829468
2,7-dioxatricyclo[4.4.0.03,8]decan-4-ol
CID 130124205
(1R,2S,6S,8R,9S)-3,7-dioxatricyclo[6.3.0.02,6]undecan-9-ol
CID 99944902
(1S,2R,6S,8S,9R)-3,7-dioxatricyclo[6.3.0.02,6]undecan-9-ol
CID 129407476
(1R,6R)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane
CID 15206214
7-oxabicyclo[4.1.0]heptan-2-ylmethanol
CID 18506442
(2R)-2-methyl-7-oxabicyclo[4.1.0]heptane
CID 89065827
(1S,2R,5E,9Z,12R)-13-oxabicyclo[10.1.0]trideca-5,9-dien-2-ol
CID 102330516
2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 59720902

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-ol?
The IUPAC name of (1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-ol (CID 98116091) is (1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for (1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for (1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-ol is O[C@@H]1CCC[C@H]2O[C@H]12.
What is the InChIKey of (1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-ol?
The InChIKey is NTUQPJNKERXQPA-HSUXUTPPSA-N. The full InChI is InChI=1S/C6H10O2/c7-4-2-1-3-5-6(4)8-5/h4-7H,1-3H2/t4-,5-,6-/m1/s1.
What are the key properties of (1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-ol?
(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-ol has a molecular weight of 114.14 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 98116091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).