1,5-dimethyl-6-oxabicyclo[3.1.0]hexane

C7H12O — CID 537593

IUPAC1,5-dimethyl-6-oxabicyclo[3.1.0]hexane
SMILESCC12CCCC1(C)O2
InChIInChI=1S/C7H12O/c1-6-4-3-5-7(6,2)8-6/h3-5H2,1-2H3
InChIKeyUXMPPYGRAFYWRK-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.72
Rot. Bonds

About 1,5-dimethyl-6-oxabicyclo[3.1.0]hexane

1,5-dimethyl-6-oxabicyclo[3.1.0]hexane (PubChem CID 537593) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 1,5-dimethyl-6-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1,5-dimethyl-6-oxabicyclo[3.1.0]hexane
PubChem CID537593
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name1,5-dimethyl-6-oxabicyclo[3.1.0]hexane
SMILESCC12CCCC1(C)O2
InChIInChI=1S/C7H12O/c1-6-4-3-5-7(6,2)8-6/h3-5H2,1-2H3
InChIKeyUXMPPYGRAFYWRK-UHFFFAOYSA-N
XLogP1.72
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.72
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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Related Compounds

(1R,2R,5S)-1,2-dimethyl-6-oxabicyclo[3.1.0]hexane
CID 134995595
(1R,2S,5S)-1,2-dimethyl-6-oxabicyclo[3.1.0]hexane
CID 134995768
(1R,2R,5R)-2-fluoro-1,2-dimethyl-6-oxabicyclo[3.1.0]hexane
CID 177530680
(1R,2S,5R)-2-fluoro-1,2-dimethyl-6-oxabicyclo[3.1.0]hexane
CID 177574092
1,2-Dimethyl-6-oxabicyclo[3.1.0]hexane
CID 12668625
2,3-Dimethyl-6-oxabicyclo[3.1.0]hexane
CID 23567810
(1R,2S,3R,5S)-2,3-dimethyl-6-oxabicyclo[3.1.0]hexane
CID 58620343
1,2,5-Trimethyl-6-oxabicyclo[3.1.0]hexane
CID 59935366
(1R,5S)-1,5-dimethyl-6-oxabicyclo[3.1.0]hexane
CID 143529662
(1S,2S,5R)-1,2-dimethyl-6-oxabicyclo[3.1.0]hexane
CID 145561056

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-6-oxabicyclo[3.1.0]hexane?
The IUPAC name of 1,5-dimethyl-6-oxabicyclo[3.1.0]hexane (CID 537593) is 1,5-dimethyl-6-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for 1,5-dimethyl-6-oxabicyclo[3.1.0]hexane?
The canonical SMILES for 1,5-dimethyl-6-oxabicyclo[3.1.0]hexane is CC12CCCC1(C)O2.
What is the InChIKey of 1,5-dimethyl-6-oxabicyclo[3.1.0]hexane?
The InChIKey is UXMPPYGRAFYWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-6-4-3-5-7(6,2)8-6/h3-5H2,1-2H3.
What are the key properties of 1,5-dimethyl-6-oxabicyclo[3.1.0]hexane?
1,5-dimethyl-6-oxabicyclo[3.1.0]hexane has a molecular weight of 112.17 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-6-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 537593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).