3-methyl-2-methylidene-6-oxabicyclo[3.1.0]hexane

C7H10O — CID 23567814

IUPAC3-methyl-2-methylidene-6-oxabicyclo[3.1.0]hexane
SMILESC=C1C(C)CC2OC12
InChIInChI=1S/C7H10O/c1-4-3-6-7(8-6)5(4)2/h4,6-7H,2-3H2,1H3
InChIKeyZZKRCXOTVNOCEC-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.35
Rot. Bonds

About 3-methyl-2-methylidene-6-oxabicyclo[3.1.0]hexane

3-methyl-2-methylidene-6-oxabicyclo[3.1.0]hexane (PubChem CID 23567814) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-methyl-2-methylidene-6-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-methyl-2-methylidene-6-oxabicyclo[3.1.0]hexane
PubChem CID23567814
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name3-methyl-2-methylidene-6-oxabicyclo[3.1.0]hexane
SMILESC=C1C(C)CC2OC12
InChIInChI=1S/C7H10O/c1-4-3-6-7(8-6)5(4)2/h4,6-7H,2-3H2,1H3
InChIKeyZZKRCXOTVNOCEC-UHFFFAOYSA-N
XLogP1.35
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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5-bromo-1,3-dimethyl-2-methylidenecyclohexane
CID 90900208
(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one
CID 134963442
(7aR)-3,6-dimethyl-7-methylidene-3,3a,4,5,6,7a-hexahydro-2H-1-benzofuran
CID 59986095
(3S,5R)-3-methyl-5-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]oxolan-2-one
CID 11138067
2,5-dimethyl-3-methylideneoxolane
CID 123323526
(1R,3R,5S)-3-methyl-2-methylidene-5-phenylcyclopentan-1-ol
CID 131136395
[(3aS,5S,7R,8R,8aR,9aR)-5,8-dimethyl-1-methylidene-2-oxo-3a,4,5,7,8,8a,9,9a-octahydroazuleno[6,5-b]furan-7-yl] acetate
CID 162960885
[(3aR,5R,7R,8S,9aS)-5,8-dimethyl-1-methylidene-2-oxo-3a,4,5,6,7,8,9,9a-octahydroazuleno[6,5-b]furan-7-yl] acetate
CID 163011729
8-hydroxy-5,8-dimethyl-1-methylidene-4,5,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one
CID 14021501
(3aS,5S,8R)-5,8-dimethyl-1-methylidene-4,5,8,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2,7-dione
CID 11658824

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidene-6-oxabicyclo[3.1.0]hexane?
The IUPAC name of 3-methyl-2-methylidene-6-oxabicyclo[3.1.0]hexane (CID 23567814) is 3-methyl-2-methylidene-6-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-methyl-2-methylidene-6-oxabicyclo[3.1.0]hexane?
The canonical SMILES for 3-methyl-2-methylidene-6-oxabicyclo[3.1.0]hexane is C=C1C(C)CC2OC12.
What is the InChIKey of 3-methyl-2-methylidene-6-oxabicyclo[3.1.0]hexane?
The InChIKey is ZZKRCXOTVNOCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-4-3-6-7(8-6)5(4)2/h4,6-7H,2-3H2,1H3.
What are the key properties of 3-methyl-2-methylidene-6-oxabicyclo[3.1.0]hexane?
3-methyl-2-methylidene-6-oxabicyclo[3.1.0]hexane has a molecular weight of 110.16 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidene-6-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 23567814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).