7-oxabicyclo[4.1.0]heptan-1-ol

C6H10O2 — CID 12599618

IUPAC7-oxabicyclo[4.1.0]heptan-1-ol
SMILESOC12CCCCC1O2
InChIInChI=1S/C6H10O2/c7-6-4-2-1-3-5(6)8-6/h5,7H,1-4H2
InChIKeyFYTJMUYAPJUVHO-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.65
Rot. Bonds

About 7-oxabicyclo[4.1.0]heptan-1-ol

7-oxabicyclo[4.1.0]heptan-1-ol (PubChem CID 12599618) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 7-oxabicyclo[4.1.0]heptan-1-ol.

Molecular Properties

Compound Name7-oxabicyclo[4.1.0]heptan-1-ol
PubChem CID12599618
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name7-oxabicyclo[4.1.0]heptan-1-ol
SMILESOC12CCCCC1O2
InChIInChI=1S/C6H10O2/c7-6-4-2-1-3-5(6)8-6/h5,7H,1-4H2
InChIKeyFYTJMUYAPJUVHO-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
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 7-oxabicyclo[4.1.0]heptan-1-ol?
The IUPAC name of 7-oxabicyclo[4.1.0]heptan-1-ol (CID 12599618) is 7-oxabicyclo[4.1.0]heptan-1-ol.
What is the SMILES notation for 7-oxabicyclo[4.1.0]heptan-1-ol?
The canonical SMILES for 7-oxabicyclo[4.1.0]heptan-1-ol is OC12CCCCC1O2.
What is the InChIKey of 7-oxabicyclo[4.1.0]heptan-1-ol?
The InChIKey is FYTJMUYAPJUVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c7-6-4-2-1-3-5(6)8-6/h5,7H,1-4H2.
What are the key properties of 7-oxabicyclo[4.1.0]heptan-1-ol?
7-oxabicyclo[4.1.0]heptan-1-ol has a molecular weight of 114.14 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[4.1.0]heptan-1-ol is sourced from PubChem (CID 12599618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).