4,6,8,9-tetramethyl-2-oxabicyclo[3.3.1]nona-1(8),5(9),6-triene

C12H16O — CID 54335318

IUPAC4,6,8,9-tetramethyl-2-oxabicyclo[3.3.1]nona-1(8),5(9),6-triene
SMILESCc1cc(C)c2c(C)c1OCC2C
InChIInChI=1S/C12H16O/c1-7-5-8(2)12-10(4)11(7)9(3)6-13-12/h5,9H,6H2,1-4H3
InChIKeyCIBFYLSURKNRIR-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.11
Rot. Bonds

About 4,6,8,9-tetramethyl-2-oxabicyclo[3.3.1]nona-1(8),5(9),6-triene

4,6,8,9-tetramethyl-2-oxabicyclo[3.3.1]nona-1(8),5(9),6-triene (PubChem CID 54335318) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 4,6,8,9-tetramethyl-2-oxabicyclo[3.3.1]nona-1(8),5(9),6-triene.

Molecular Properties

Compound Name4,6,8,9-tetramethyl-2-oxabicyclo[3.3.1]nona-1(8),5(9),6-triene
PubChem CID54335318
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name4,6,8,9-tetramethyl-2-oxabicyclo[3.3.1]nona-1(8),5(9),6-triene
SMILESCc1cc(C)c2c(C)c1OCC2C
InChIInChI=1S/C12H16O/c1-7-5-8(2)12-10(4)11(7)9(3)6-13-12/h5,9H,6H2,1-4H3
InChIKeyCIBFYLSURKNRIR-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,6,8,9-tetramethyl-2-oxabicyclo[3.3.1]nona-1(8),5(9),6-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6,8,9-tetramethyl-2-oxabicyclo[3.3.1]nona-1(8),5(9),6-triene?
The IUPAC name of 4,6,8,9-tetramethyl-2-oxabicyclo[3.3.1]nona-1(8),5(9),6-triene (CID 54335318) is 4,6,8,9-tetramethyl-2-oxabicyclo[3.3.1]nona-1(8),5(9),6-triene.
What is the SMILES notation for 4,6,8,9-tetramethyl-2-oxabicyclo[3.3.1]nona-1(8),5(9),6-triene?
The canonical SMILES for 4,6,8,9-tetramethyl-2-oxabicyclo[3.3.1]nona-1(8),5(9),6-triene is Cc1cc(C)c2c(C)c1OCC2C.
What is the InChIKey of 4,6,8,9-tetramethyl-2-oxabicyclo[3.3.1]nona-1(8),5(9),6-triene?
The InChIKey is CIBFYLSURKNRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-7-5-8(2)12-10(4)11(7)9(3)6-13-12/h5,9H,6H2,1-4H3.
What are the key properties of 4,6,8,9-tetramethyl-2-oxabicyclo[3.3.1]nona-1(8),5(9),6-triene?
4,6,8,9-tetramethyl-2-oxabicyclo[3.3.1]nona-1(8),5(9),6-triene has a molecular weight of 176.26 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8,9-tetramethyl-2-oxabicyclo[3.3.1]nona-1(8),5(9),6-triene is sourced from PubChem (CID 54335318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).