(2R)-2-methyl-7-oxabicyclo[4.1.0]heptane

C7H12O — CID 89065827

IUPAC(2R)-2-methyl-7-oxabicyclo[4.1.0]heptane
SMILESC[C@@H]1CCCC2OC21
InChIInChI=1S/C7H12O/c1-5-3-2-4-6-7(5)8-6/h5-7H,2-4H2,1H3/t5-,6?,7?/m1/s1
InChIKeyNRFMZKXHPJBQBW-GRQBKTHUSA-N
MW112.17 g/mol
LogP1.57
Rot. Bonds

About (2R)-2-methyl-7-oxabicyclo[4.1.0]heptane

(2R)-2-methyl-7-oxabicyclo[4.1.0]heptane (PubChem CID 89065827) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (2R)-2-methyl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(2R)-2-methyl-7-oxabicyclo[4.1.0]heptane
PubChem CID89065827
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(2R)-2-methyl-7-oxabicyclo[4.1.0]heptane
SMILESC[C@@H]1CCCC2OC21
InChIInChI=1S/C7H12O/c1-5-3-2-4-6-7(5)8-6/h5-7H,2-4H2,1H3/t5-,6?,7?/m1/s1
InChIKeyNRFMZKXHPJBQBW-GRQBKTHUSA-N
XLogP1.57
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 ≤ 51.57
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

(6R)-2-methoxy-7-oxabicyclo[4.1.0]heptane
CID 126699218
(1R,6R)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane
CID 15206214
(1S,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 10996994
(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 98116091
2,5-dimethyl-7-oxabicyclo[4.1.0]heptane
CID 59072321
ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
CID 91129712
(5S,6R)-6-methyl-8-oxabicyclo[3.2.1]octane
CID 145014882
2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 59720902
5-methyl-3,7-dioxabicyclo[4.1.0]heptane
CID 177019686
(1S,6S)-2-(2-methylpropyl)-7-oxabicyclo[4.1.0]heptane
CID 10630730
7-oxabicyclo[4.1.0]heptan-2-ylmethanol
CID 18506442
(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 7098824

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of (2R)-2-methyl-7-oxabicyclo[4.1.0]heptane (CID 89065827) is (2R)-2-methyl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for (2R)-2-methyl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for (2R)-2-methyl-7-oxabicyclo[4.1.0]heptane is C[C@@H]1CCCC2OC21.
What is the InChIKey of (2R)-2-methyl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is NRFMZKXHPJBQBW-GRQBKTHUSA-N. The full InChI is InChI=1S/C7H12O/c1-5-3-2-4-6-7(5)8-6/h5-7H,2-4H2,1H3/t5-,6?,7?/m1/s1.
What are the key properties of (2R)-2-methyl-7-oxabicyclo[4.1.0]heptane?
(2R)-2-methyl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 112.17 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 89065827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).