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

C6H10O2 — CID 10996994

IUPAC(1S,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
SMILESOC1CCC[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-UVCATTPVSA-N
MW114.14 g/mol
LogP0.30
Rot. Bonds

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

(1S,6R)-7-oxabicyclo[4.1.0]heptan-2-ol (PubChem CID 10996994) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (1S,6R)-7-oxabicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name(1S,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
PubChem CID10996994
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(1S,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
SMILESOC1CCC[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-UVCATTPVSA-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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Frequently Asked Questions

What is the IUPAC name of (1S,6R)-7-oxabicyclo[4.1.0]heptan-2-ol?
The IUPAC name of (1S,6R)-7-oxabicyclo[4.1.0]heptan-2-ol (CID 10996994) is (1S,6R)-7-oxabicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for (1S,6R)-7-oxabicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for (1S,6R)-7-oxabicyclo[4.1.0]heptan-2-ol is OC1CCC[C@H]2O[C@@H]12.
What is the InChIKey of (1S,6R)-7-oxabicyclo[4.1.0]heptan-2-ol?
The InChIKey is NTUQPJNKERXQPA-UVCATTPVSA-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 (1S,6R)-7-oxabicyclo[4.1.0]heptan-2-ol?
(1S,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 (1S,6R)-7-oxabicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 10996994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).