2-ethenyl-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene

C10H12O — CID 139822990

IUPAC2-ethenyl-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESC=CC1=CC=CC2(C)OC12C
InChIInChI=1S/C10H12O/c1-4-8-6-5-7-9(2)10(8,3)11-9/h4-7H,1H2,2-3H3
InChIKeyWCVLAFQBJHQKJQ-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.22
Rot. Bonds1

About 2-ethenyl-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene

2-ethenyl-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 139822990) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-ethenyl-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name2-ethenyl-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
PubChem CID139822990
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name2-ethenyl-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESC=CC1=CC=CC2(C)OC12C
InChIInChI=1S/C10H12O/c1-4-8-6-5-7-9(2)10(8,3)11-9/h4-7H,1H2,2-3H3
InChIKeyWCVLAFQBJHQKJQ-UHFFFAOYSA-N
XLogP2.22
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.22
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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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 2-ethenyl-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (CID 139822990) is 2-ethenyl-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 2-ethenyl-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 2-ethenyl-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is C=CC1=CC=CC2(C)OC12C.
What is the InChIKey of 2-ethenyl-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is WCVLAFQBJHQKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-4-8-6-5-7-9(2)10(8,3)11-9/h4-7H,1H2,2-3H3.
What are the key properties of 2-ethenyl-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
2-ethenyl-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 148.20 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 139822990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).