3-oxabicyclo[4.1.0]heptane

C6H10O — CID 91110065

IUPAC3-oxabicyclo[4.1.0]heptane
SMILESC1CC2CC2CO1
InChIInChI=1S/C6H10O/c1-2-7-4-6-3-5(1)6/h5-6H,1-4H2
InChIKeyZVOMLHIUENREGH-UHFFFAOYSA-N
MW98.15 g/mol
LogP1.04
Rot. Bonds

About 3-oxabicyclo[4.1.0]heptane

3-oxabicyclo[4.1.0]heptane (PubChem CID 91110065) has the molecular formula C6H10O and a molecular weight of 98.15 g/mol. Its IUPAC name is 3-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-oxabicyclo[4.1.0]heptane
PubChem CID91110065
Molecular FormulaC6H10O
Molecular Weight98.15 g/mol
Exact Mass98.07
IUPAC Name3-oxabicyclo[4.1.0]heptane
SMILESC1CC2CC2CO1
InChIInChI=1S/C6H10O/c1-2-7-4-6-3-5(1)6/h5-6H,1-4H2
InChIKeyZVOMLHIUENREGH-UHFFFAOYSA-N
XLogP1.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-oxabicyclo[4.1.0]heptane (CID 91110065) is 3-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-oxabicyclo[4.1.0]heptane is C1CC2CC2CO1.
What is the InChIKey of 3-oxabicyclo[4.1.0]heptane?
The InChIKey is ZVOMLHIUENREGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-2-7-4-6-3-5(1)6/h5-6H,1-4H2.
What are the key properties of 3-oxabicyclo[4.1.0]heptane?
3-oxabicyclo[4.1.0]heptane has a molecular weight of 98.15 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 91110065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).