1,2,3,6-tetramethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene

C10H14O — CID 141020539

IUPAC1,2,3,6-tetramethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=C(C)C2(C)OC2(C)C=C1
InChIInChI=1S/C10H14O/c1-7-5-6-9(3)10(4,11-9)8(7)2/h5-6H,1-4H3
InChIKeyLHUNWZOYMAWZGI-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.44
Rot. Bonds

About 1,2,3,6-tetramethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene

1,2,3,6-tetramethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 141020539) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1,2,3,6-tetramethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name1,2,3,6-tetramethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
PubChem CID141020539
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1,2,3,6-tetramethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=C(C)C2(C)OC2(C)C=C1
InChIInChI=1S/C10H14O/c1-7-5-6-9(3)10(4,11-9)8(7)2/h5-6H,1-4H3
InChIKeyLHUNWZOYMAWZGI-UHFFFAOYSA-N
XLogP2.44
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.44
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 1,2,3,6-tetramethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 1,2,3,6-tetramethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (CID 141020539) is 1,2,3,6-tetramethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 1,2,3,6-tetramethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 1,2,3,6-tetramethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is CC1=C(C)C2(C)OC2(C)C=C1.
What is the InChIKey of 1,2,3,6-tetramethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is LHUNWZOYMAWZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-7-5-6-9(3)10(4,11-9)8(7)2/h5-6H,1-4H3.
What are the key properties of 1,2,3,6-tetramethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
1,2,3,6-tetramethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 150.22 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetramethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 141020539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).