5-propan-2-yl-2-oxabicyclo[2.2.0]hexane

C8H14O — CID 168887531

IUPAC5-propan-2-yl-2-oxabicyclo[2.2.0]hexane
SMILESCC(C)C1CC2OCC21
InChIInChI=1S/C8H14O/c1-5(2)6-3-8-7(6)4-9-8/h5-8H,3-4H2,1-2H3
InChIKeyVWGYEEFZDXBHON-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.68
Rot. Bonds1

About 5-propan-2-yl-2-oxabicyclo[2.2.0]hexane

5-propan-2-yl-2-oxabicyclo[2.2.0]hexane (PubChem CID 168887531) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 5-propan-2-yl-2-oxabicyclo[2.2.0]hexane.

Molecular Properties

Compound Name5-propan-2-yl-2-oxabicyclo[2.2.0]hexane
PubChem CID168887531
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name5-propan-2-yl-2-oxabicyclo[2.2.0]hexane
SMILESCC(C)C1CC2OCC21
InChIInChI=1S/C8H14O/c1-5(2)6-3-8-7(6)4-9-8/h5-8H,3-4H2,1-2H3
InChIKeyVWGYEEFZDXBHON-UHFFFAOYSA-N
XLogP1.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-oxabicyclo[2.2.0]hexane?
The IUPAC name of 5-propan-2-yl-2-oxabicyclo[2.2.0]hexane (CID 168887531) is 5-propan-2-yl-2-oxabicyclo[2.2.0]hexane.
What is the SMILES notation for 5-propan-2-yl-2-oxabicyclo[2.2.0]hexane?
The canonical SMILES for 5-propan-2-yl-2-oxabicyclo[2.2.0]hexane is CC(C)C1CC2OCC21.
What is the InChIKey of 5-propan-2-yl-2-oxabicyclo[2.2.0]hexane?
The InChIKey is VWGYEEFZDXBHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-5(2)6-3-8-7(6)4-9-8/h5-8H,3-4H2,1-2H3.
What are the key properties of 5-propan-2-yl-2-oxabicyclo[2.2.0]hexane?
5-propan-2-yl-2-oxabicyclo[2.2.0]hexane has a molecular weight of 126.20 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-oxabicyclo[2.2.0]hexane is sourced from PubChem (CID 168887531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).