(1R,5R,6S)-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane

C8H14O — CID 10877125

IUPAC(1R,5R,6S)-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane
SMILESC[C@@H]1CCC[C@@]2(C)O[C@@H]12
InChIInChI=1S/C8H14O/c1-6-4-3-5-8(2)7(6)9-8/h6-7H,3-5H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeyJECOGJBQQYXLLN-GJMOJQLCSA-N
MW126.20 g/mol
LogP1.96
Rot. Bonds

About (1R,5R,6S)-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane

(1R,5R,6S)-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane (PubChem CID 10877125) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (1R,5R,6S)-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,5R,6S)-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane
PubChem CID10877125
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(1R,5R,6S)-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane
SMILESC[C@@H]1CCC[C@@]2(C)O[C@@H]12
InChIInChI=1S/C8H14O/c1-6-4-3-5-8(2)7(6)9-8/h6-7H,3-5H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeyJECOGJBQQYXLLN-GJMOJQLCSA-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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Related Compounds

[(1S,6R)-6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl] acetate
CID 10678728
formaldehyde;1,1,2,3-tetramethylcyclohexane
CID 175438935
(1S,2S,4R,8S,11S,12S)-4,8,12-trimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradecan-13-one
CID 821401
4-methyl-3-oxatricyclo[5.1.0.02,4]octane
CID 74040090
(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane
CID 71019394
1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane
CID 89274736
1-methyl-5-(2-prop-2-enoxypropan-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 100953065
1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane
CID 59720722
CID 123603373
CID 123603373
6-cyclobutyl-6-methyloxane-2-carboxylic acid
CID 127002208
[(1R,2R,3R,5R,9R,10R,11R)-2-hydroxy-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.03,5]tetradecan-10-yl] 3-methylbut-2-enoate
CID 162944494
[(1S,2R,3R,5R,9R,10R,11S)-10-hydroxy-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.03,5]tetradecan-2-yl] (E)-2-methylbut-2-enoate
CID 154495912

Frequently Asked Questions

What is the IUPAC name of (1R,5R,6S)-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of (1R,5R,6S)-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane (CID 10877125) is (1R,5R,6S)-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,5R,6S)-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for (1R,5R,6S)-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane is C[C@@H]1CCC[C@@]2(C)O[C@@H]12.
What is the InChIKey of (1R,5R,6S)-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is JECOGJBQQYXLLN-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H14O/c1-6-4-3-5-8(2)7(6)9-8/h6-7H,3-5H2,1-2H3/t6-,7+,8-/m1/s1.
What are the key properties of (1R,5R,6S)-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane?
(1R,5R,6S)-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane 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 (1R,5R,6S)-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 10877125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).