2-oxabicyclo[4.1.0]heptan-7-ylmethanol

C7H12O2 — CID 68652458

IUPAC2-oxabicyclo[4.1.0]heptan-7-ylmethanol
SMILESOCC1C2CCCOC12
InChIInChI=1S/C7H12O2/c8-4-6-5-2-1-3-9-7(5)6/h5-8H,1-4H2
InChIKeyHPEMQBFOENIWMH-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.40
Rot. Bonds1

About 2-oxabicyclo[4.1.0]heptan-7-ylmethanol

2-oxabicyclo[4.1.0]heptan-7-ylmethanol (PubChem CID 68652458) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-oxabicyclo[4.1.0]heptan-7-ylmethanol.

Molecular Properties

Compound Name2-oxabicyclo[4.1.0]heptan-7-ylmethanol
PubChem CID68652458
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-oxabicyclo[4.1.0]heptan-7-ylmethanol
SMILESOCC1C2CCCOC12
InChIInChI=1S/C7H12O2/c8-4-6-5-2-1-3-9-7(5)6/h5-8H,1-4H2
InChIKeyHPEMQBFOENIWMH-UHFFFAOYSA-N
XLogP0.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxabicyclo[4.1.0]heptan-7-ylmethanol?
The IUPAC name of 2-oxabicyclo[4.1.0]heptan-7-ylmethanol (CID 68652458) is 2-oxabicyclo[4.1.0]heptan-7-ylmethanol.
What is the SMILES notation for 2-oxabicyclo[4.1.0]heptan-7-ylmethanol?
The canonical SMILES for 2-oxabicyclo[4.1.0]heptan-7-ylmethanol is OCC1C2CCCOC12.
What is the InChIKey of 2-oxabicyclo[4.1.0]heptan-7-ylmethanol?
The InChIKey is HPEMQBFOENIWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c8-4-6-5-2-1-3-9-7(5)6/h5-8H,1-4H2.
What are the key properties of 2-oxabicyclo[4.1.0]heptan-7-ylmethanol?
2-oxabicyclo[4.1.0]heptan-7-ylmethanol has a molecular weight of 128.17 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxabicyclo[4.1.0]heptan-7-ylmethanol is sourced from PubChem (CID 68652458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).