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

C7H10O — CID 45120317

IUPAC1-methyl-3-methylidene-6-oxabicyclo[3.1.0]hexane
SMILESC=C1CC2OC2(C)C1
InChIInChI=1S/C7H10O/c1-5-3-6-7(2,4-5)8-6/h6H,1,3-4H2,2H3
InChIKeySWJNBSHXLYHTBD-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.49
Rot. Bonds

About 1-methyl-3-methylidene-6-oxabicyclo[3.1.0]hexane

1-methyl-3-methylidene-6-oxabicyclo[3.1.0]hexane (PubChem CID 45120317) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 1-methyl-3-methylidene-6-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-methyl-3-methylidene-6-oxabicyclo[3.1.0]hexane
PubChem CID45120317
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name1-methyl-3-methylidene-6-oxabicyclo[3.1.0]hexane
SMILESC=C1CC2OC2(C)C1
InChIInChI=1S/C7H10O/c1-5-3-6-7(2,4-5)8-6/h6H,1,3-4H2,2H3
InChIKeySWJNBSHXLYHTBD-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
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

(1R)-1-methyl-2-oxabicyclo[1.1.0]butane
CID 173021460
1-methyl-3-methylidenebicyclo[3.1.0]hexane
CID 90931570
(1R)-1-methyl-3,7-dimethylidenebicyclo[3.2.0]heptane
CID 59110723
(1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-8-one
CID 10847309
1-methyl-5-methylidenecyclohexane-1,3-diol
CID 91024356
ethane;ethene;1,1,3-trimethyl-5-methylidenecyclohexane
CID 142048618
1,2-dimethyl-4-methylidene-1-prop-1-en-2-ylcyclopentane
CID 20644989
(5S)-6,6-dimethyl-3-methylidenebicyclo[3.1.1]heptane
CID 173165956
(1S,5R)-1-methyl-3-methylidene-9-oxabicyclo[3.3.2]decan-10-one
CID 10821251
ethane;(16R)-10-methoxy-4,9,16-trimethyl-15-methylidene-5-oxatricyclo[10.3.1.04,6]hexadecane-2,14-dione
CID 142219438
5,10,17,17-tetramethyl-14-methylidene-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-15-one
CID 46212697
(17R)-5,10,17-trimethyl-14-methylidene-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-15-one
CID 142891159

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylidene-6-oxabicyclo[3.1.0]hexane?
The IUPAC name of 1-methyl-3-methylidene-6-oxabicyclo[3.1.0]hexane (CID 45120317) is 1-methyl-3-methylidene-6-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-methyl-3-methylidene-6-oxabicyclo[3.1.0]hexane?
The canonical SMILES for 1-methyl-3-methylidene-6-oxabicyclo[3.1.0]hexane is C=C1CC2OC2(C)C1.
What is the InChIKey of 1-methyl-3-methylidene-6-oxabicyclo[3.1.0]hexane?
The InChIKey is SWJNBSHXLYHTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-5-3-6-7(2,4-5)8-6/h6H,1,3-4H2,2H3.
What are the key properties of 1-methyl-3-methylidene-6-oxabicyclo[3.1.0]hexane?
1-methyl-3-methylidene-6-oxabicyclo[3.1.0]hexane has a molecular weight of 110.16 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylidene-6-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 45120317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).