1,2,5-trimethyl-6-oxabicyclo[3.1.0]hexane

C8H14O — CID 59935366

IUPAC1,2,5-trimethyl-6-oxabicyclo[3.1.0]hexane
SMILESCC1CCC2(C)OC12C
InChIInChI=1S/C8H14O/c1-6-4-5-7(2)8(6,3)9-7/h6H,4-5H2,1-3H3
InChIKeyPZYGZLBJGUQHHG-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.96
Rot. Bonds

About 1,2,5-trimethyl-6-oxabicyclo[3.1.0]hexane

1,2,5-trimethyl-6-oxabicyclo[3.1.0]hexane (PubChem CID 59935366) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1,2,5-trimethyl-6-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1,2,5-trimethyl-6-oxabicyclo[3.1.0]hexane
PubChem CID59935366
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1,2,5-trimethyl-6-oxabicyclo[3.1.0]hexane
SMILESCC1CCC2(C)OC12C
InChIInChI=1S/C8H14O/c1-6-4-5-7(2)8(6,3)9-7/h6H,4-5H2,1-3H3
InChIKeyPZYGZLBJGUQHHG-UHFFFAOYSA-N
XLogP1.96
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.96
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 1,2,5-trimethyl-6-oxabicyclo[3.1.0]hexane?
The IUPAC name of 1,2,5-trimethyl-6-oxabicyclo[3.1.0]hexane (CID 59935366) is 1,2,5-trimethyl-6-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for 1,2,5-trimethyl-6-oxabicyclo[3.1.0]hexane?
The canonical SMILES for 1,2,5-trimethyl-6-oxabicyclo[3.1.0]hexane is CC1CCC2(C)OC12C.
What is the InChIKey of 1,2,5-trimethyl-6-oxabicyclo[3.1.0]hexane?
The InChIKey is PZYGZLBJGUQHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-6-4-5-7(2)8(6,3)9-7/h6H,4-5H2,1-3H3.
What are the key properties of 1,2,5-trimethyl-6-oxabicyclo[3.1.0]hexane?
1,2,5-trimethyl-6-oxabicyclo[3.1.0]hexane has a molecular weight of 126.20 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-6-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 59935366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).