2,2,3-trimethyl-6-oxabicyclo[3.1.0]hexane

C8H14O — CID 123178481

IUPAC2,2,3-trimethyl-6-oxabicyclo[3.1.0]hexane
SMILESCC1CC2OC2C1(C)C
InChIInChI=1S/C8H14O/c1-5-4-6-7(9-6)8(5,2)3/h5-7H,4H2,1-3H3
InChIKeyRWXMXNWTMPDCKK-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.82
Rot. Bonds

About 2,2,3-trimethyl-6-oxabicyclo[3.1.0]hexane

2,2,3-trimethyl-6-oxabicyclo[3.1.0]hexane (PubChem CID 123178481) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2,2,3-trimethyl-6-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2,2,3-trimethyl-6-oxabicyclo[3.1.0]hexane
PubChem CID123178481
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2,2,3-trimethyl-6-oxabicyclo[3.1.0]hexane
SMILESCC1CC2OC2C1(C)C
InChIInChI=1S/C8H14O/c1-5-4-6-7(9-6)8(5,2)3/h5-7H,4H2,1-3H3
InChIKeyRWXMXNWTMPDCKK-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
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

3,4-dimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
CID 154329896
(4S,6S)-3,3,4,6-tetramethyl-2-propan-2-yloxane
CID 59661877
2,2,6,6,7-pentamethyl-4,5,5a,7,8,8a-hexahydrocyclopenta[d][1,3]dioxepine
CID 58645311
1,1,2-trimethyl-4-(2-methylpropyl)cyclobutane
CID 59045615
3,4-dimethyl-3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane
CID 57084150
2-ethyl-1,1,4-trimethylcyclobutane
CID 91404893
(3aS,4R,6S,7aR)-4,5,5,6-tetramethyl-2-(2-methylpropyl)-4,6,7,7a-tetrahydro-3aH-benzo[d][1,3,2]dioxaborole
CID 125415623
trans-(3S,5S)-4,4,5-trimethylcyclohexane-1,3-diol
CID 118049120
2,3-dimethyl-4,8-dioxa-5λ4-thiatricyclo[4.2.1.03,7]nonane 5-oxide
CID 89310067
trans-(2R,4R)-1,1,2-trimethyl-4-prop-1-en-2-ylcyclobutane
CID 162732695
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
(1R,2R,4S,5S,6S)-5,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
CID 90470844

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-6-oxabicyclo[3.1.0]hexane?
The IUPAC name of 2,2,3-trimethyl-6-oxabicyclo[3.1.0]hexane (CID 123178481) is 2,2,3-trimethyl-6-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for 2,2,3-trimethyl-6-oxabicyclo[3.1.0]hexane?
The canonical SMILES for 2,2,3-trimethyl-6-oxabicyclo[3.1.0]hexane is CC1CC2OC2C1(C)C.
What is the InChIKey of 2,2,3-trimethyl-6-oxabicyclo[3.1.0]hexane?
The InChIKey is RWXMXNWTMPDCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-5-4-6-7(9-6)8(5,2)3/h5-7H,4H2,1-3H3.
What are the key properties of 2,2,3-trimethyl-6-oxabicyclo[3.1.0]hexane?
2,2,3-trimethyl-6-oxabicyclo[3.1.0]hexane has a molecular weight of 126.20 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-6-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 123178481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).