4-ethenyl-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene

C9H10O — CID 57347851

IUPAC4-ethenyl-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESC=CC1=CC2OC2(C)C=C1
InChIInChI=1S/C9H10O/c1-3-7-4-5-9(2)8(6-7)10-9/h3-6,8H,1H2,2H3
InChIKeyCMKLOFDTZOOHDZ-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.83
Rot. Bonds1

About 4-ethenyl-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene

4-ethenyl-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 57347851) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 4-ethenyl-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name4-ethenyl-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
PubChem CID57347851
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name4-ethenyl-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESC=CC1=CC2OC2(C)C=C1
InChIInChI=1S/C9H10O/c1-3-7-4-5-9(2)8(6-7)10-9/h3-6,8H,1H2,2H3
InChIKeyCMKLOFDTZOOHDZ-UHFFFAOYSA-N
XLogP1.83
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.83
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

5-Methoxy-2-prop-1-enylcyclohexa-1,3-diene
CID 20975449
7-Oxabicyclo(4.1.0)hepta-2,4-diene, 1-vinyl-
CID 149629
1-Vinylbenzene-3,4-oxide
CID 3035209
7-Oxabicyclo[4.1.0]hepta-2,4-diene, 1-methyl-
CID 10240782
1,6-Dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
CID 12966232
6-Ethyl-2,6-dimethyl-2,3-dihydropyran
CID 12507029
2,2-Dimethyl-3-(2-methylprop-1-enyl)oxirane
CID 12553881
Allylbenzene oxide
CID 21963701
1,2-Epoxy-1-phenyl-ethane
CID 22121529
1,3,5-Trimethyl-7-oxabicyclo(4.1.0)hepta-2,4-diene
CID 71361380
1,4-Dimethylbenzene oxide
CID 85791500
2,6-Dimethylphenylene oxide
CID 87133361

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 4-ethenyl-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (CID 57347851) is 4-ethenyl-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 4-ethenyl-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 4-ethenyl-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is C=CC1=CC2OC2(C)C=C1.
What is the InChIKey of 4-ethenyl-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is CMKLOFDTZOOHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-3-7-4-5-9(2)8(6-7)10-9/h3-6,8H,1H2,2H3.
What are the key properties of 4-ethenyl-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
4-ethenyl-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 134.18 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 57347851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).