ethane;3-oxabicyclo[3.1.0]hexane

C7H14O — CID 177000090

IUPACethane;3-oxabicyclo[3.1.0]hexane
SMILESC1OCC2CC12.CC
InChIInChI=1S/C5H8O.C2H6/c1-4-2-6-3-5(1)4;1-2/h4-5H,1-3H2;1-2H3
InChIKeyXSORWPCZGRECBF-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.68
Rot. Bonds

About ethane;3-oxabicyclo[3.1.0]hexane

ethane;3-oxabicyclo[3.1.0]hexane (PubChem CID 177000090) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is ethane;3-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Nameethane;3-oxabicyclo[3.1.0]hexane
PubChem CID177000090
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Nameethane;3-oxabicyclo[3.1.0]hexane
SMILESC1OCC2CC12.CC
InChIInChI=1S/C5H8O.C2H6/c1-4-2-6-3-5(1)4;1-2/h4-5H,1-3H2;1-2H3
InChIKeyXSORWPCZGRECBF-UHFFFAOYSA-N
XLogP1.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3-oxabicyclo[3.1.0]hexane?
The IUPAC name of ethane;3-oxabicyclo[3.1.0]hexane (CID 177000090) is ethane;3-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for ethane;3-oxabicyclo[3.1.0]hexane?
The canonical SMILES for ethane;3-oxabicyclo[3.1.0]hexane is C1OCC2CC12.CC.
What is the InChIKey of ethane;3-oxabicyclo[3.1.0]hexane?
The InChIKey is XSORWPCZGRECBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.C2H6/c1-4-2-6-3-5(1)4;1-2/h4-5H,1-3H2;1-2H3.
What are the key properties of ethane;3-oxabicyclo[3.1.0]hexane?
ethane;3-oxabicyclo[3.1.0]hexane has a molecular weight of 114.19 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 177000090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).