1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene

C12H16O — CID 154982040

IUPAC1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene
SMILESCC12CCC(C)(O1)C1C=CC=CC12
InChIInChI=1S/C12H16O/c1-11-7-8-12(2,13-11)10-6-4-3-5-9(10)11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyLUTRLBMBNSAWQZ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.69
Rot. Bonds

About 1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene

1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene (PubChem CID 154982040) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene.

Molecular Properties

Compound Name1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene
PubChem CID154982040
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene
SMILESCC12CCC(C)(O1)C1C=CC=CC12
InChIInChI=1S/C12H16O/c1-11-7-8-12(2,13-11)10-6-4-3-5-9(10)11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyLUTRLBMBNSAWQZ-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cis-Cadinene ether
CID 162969157
trans-Cadinene ether
CID 163190980
4,10-Dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,6]undec-4-ene
CID 6429184
2-Methyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene
CID 118934139
(9R)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodec-3-ene
CID 141997165
(3aS,3bR,9aR,9bS,11aS)-11a-methyl-3,3a,3b,4,9a,9b,10,11-octahydro-2H-naphtho[2,1-e][1]benzofuran
CID 173290185
(1R,6S,7S,10S)-4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,6]undec-4-ene
CID 20837788
2-Ethenyl-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptane
CID 142266943

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene?
The IUPAC name of 1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene (CID 154982040) is 1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene.
What is the SMILES notation for 1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene?
The canonical SMILES for 1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene is CC12CCC(C)(O1)C1C=CC=CC12.
What is the InChIKey of 1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene?
The InChIKey is LUTRLBMBNSAWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-11-7-8-12(2,13-11)10-6-4-3-5-9(10)11/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene?
1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene has a molecular weight of 176.26 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene is sourced from PubChem (CID 154982040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).