1-methyl-6-oxabicyclo[3.1.0]hexane

C6H10O — CID 4250936

IUPAC1-methyl-6-oxabicyclo[3.1.0]hexane
SMILESCC12CCCC1O2
InChIInChI=1S/C6H10O/c1-6-4-2-3-5(6)7-6/h5H,2-4H2,1H3
InChIKeyXMDQJXIEKHMDMG-UHFFFAOYSA-N
MW98.15 g/mol
LogP1.33
Rot. Bonds

About 1-methyl-6-oxabicyclo[3.1.0]hexane

1-methyl-6-oxabicyclo[3.1.0]hexane (PubChem CID 4250936) has the molecular formula C6H10O and a molecular weight of 98.15 g/mol. Its IUPAC name is 1-methyl-6-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-methyl-6-oxabicyclo[3.1.0]hexane
PubChem CID4250936
Molecular FormulaC6H10O
Molecular Weight98.15 g/mol
Exact Mass98.07
IUPAC Name1-methyl-6-oxabicyclo[3.1.0]hexane
SMILESCC12CCCC1O2
InChIInChI=1S/C6H10O/c1-6-4-2-3-5(6)7-6/h5H,2-4H2,1H3
InChIKeyXMDQJXIEKHMDMG-UHFFFAOYSA-N
XLogP1.33
TPSA12.53 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 ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-methyl-6-oxabicyclo[3.1.0]hexane?
The IUPAC name of 1-methyl-6-oxabicyclo[3.1.0]hexane (CID 4250936) is 1-methyl-6-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-methyl-6-oxabicyclo[3.1.0]hexane?
The canonical SMILES for 1-methyl-6-oxabicyclo[3.1.0]hexane is CC12CCCC1O2.
What is the InChIKey of 1-methyl-6-oxabicyclo[3.1.0]hexane?
The InChIKey is XMDQJXIEKHMDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-6-4-2-3-5(6)7-6/h5H,2-4H2,1H3.
What are the key properties of 1-methyl-6-oxabicyclo[3.1.0]hexane?
1-methyl-6-oxabicyclo[3.1.0]hexane has a molecular weight of 98.15 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 4250936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).