2-propan-2-yl-5-(5-propan-2-yl-7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene

C18H18O2 — CID 175725025

IUPAC2-propan-2-yl-5-(5-propan-2-yl-7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
SMILESCC(C)c1ccc(-c2ccc(C(C)C)c3c2O3)c2c1O2
InChIInChI=1S/C18H18O2/c1-9(2)11-5-7-13(17-15(11)19-17)14-8-6-12(10(3)4)16-18(14)20-16/h5-10H,1-4H3
InChIKeyZGKKNNUYUOPAEY-UHFFFAOYSA-N
MW266.34 g/mol
LogP5.81
Rot. Bonds3

About 2-propan-2-yl-5-(5-propan-2-yl-7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene

2-propan-2-yl-5-(5-propan-2-yl-7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene (PubChem CID 175725025) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-propan-2-yl-5-(5-propan-2-yl-7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene.

Molecular Properties

Compound Name2-propan-2-yl-5-(5-propan-2-yl-7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
PubChem CID175725025
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-propan-2-yl-5-(5-propan-2-yl-7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
SMILESCC(C)c1ccc(-c2ccc(C(C)C)c3c2O3)c2c1O2
InChIInChI=1S/C18H18O2/c1-9(2)11-5-7-13(17-15(11)19-17)14-8-6-12(10(3)4)16-18(14)20-16/h5-10H,1-4H3
InChIKeyZGKKNNUYUOPAEY-UHFFFAOYSA-N
XLogP5.81
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.34
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-propan-2-yl-5-(5-propan-2-yl-7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene?
The IUPAC name of 2-propan-2-yl-5-(5-propan-2-yl-7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene (CID 175725025) is 2-propan-2-yl-5-(5-propan-2-yl-7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene.
What is the SMILES notation for 2-propan-2-yl-5-(5-propan-2-yl-7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene?
The canonical SMILES for 2-propan-2-yl-5-(5-propan-2-yl-7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene is CC(C)c1ccc(-c2ccc(C(C)C)c3c2O3)c2c1O2.
What is the InChIKey of 2-propan-2-yl-5-(5-propan-2-yl-7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene?
The InChIKey is ZGKKNNUYUOPAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-9(2)11-5-7-13(17-15(11)19-17)14-8-6-12(10(3)4)16-18(14)20-16/h5-10H,1-4H3.
What are the key properties of 2-propan-2-yl-5-(5-propan-2-yl-7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene?
2-propan-2-yl-5-(5-propan-2-yl-7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene has a molecular weight of 266.34 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(5-propan-2-yl-7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene is sourced from PubChem (CID 175725025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).