(1R,6S,9R)-7,7-dimethyl-10-oxatricyclo[7.2.1.01,6]dodec-4-en-11-one

C13H18O2 — CID 11030998

IUPAC(1R,6S,9R)-7,7-dimethyl-10-oxatricyclo[7.2.1.01,6]dodec-4-en-11-one
SMILESCC1(C)C[C@@H]2C[C@@]3(CCC=C[C@@H]13)C(=O)O2
InChIInChI=1S/C13H18O2/c1-12(2)7-9-8-13(11(14)15-9)6-4-3-5-10(12)13/h3,5,9-10H,4,6-8H2,1-2H3/t9-,10+,13-/m1/s1
InChIKeyUWIXJEYHWFVNNQ-GBIKHYSHSA-N
MW206.28 g/mol
LogP2.68
Rot. Bonds

About (1R,6S,9R)-7,7-dimethyl-10-oxatricyclo[7.2.1.01,6]dodec-4-en-11-one

(1R,6S,9R)-7,7-dimethyl-10-oxatricyclo[7.2.1.01,6]dodec-4-en-11-one (PubChem CID 11030998) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (1R,6S,9R)-7,7-dimethyl-10-oxatricyclo[7.2.1.01,6]dodec-4-en-11-one.

Molecular Properties

Compound Name(1R,6S,9R)-7,7-dimethyl-10-oxatricyclo[7.2.1.01,6]dodec-4-en-11-one
PubChem CID11030998
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(1R,6S,9R)-7,7-dimethyl-10-oxatricyclo[7.2.1.01,6]dodec-4-en-11-one
SMILESCC1(C)C[C@@H]2C[C@@]3(CCC=C[C@@H]13)C(=O)O2
InChIInChI=1S/C13H18O2/c1-12(2)7-9-8-13(11(14)15-9)6-4-3-5-10(12)13/h3,5,9-10H,4,6-8H2,1-2H3/t9-,10+,13-/m1/s1
InChIKeyUWIXJEYHWFVNNQ-GBIKHYSHSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,6S,9R)-7,7-dimethyl-10-oxatricyclo[7.2.1.01,6]dodec-4-en-11-one with MolForge

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

Launch Full Analysis

Related Compounds

Oblongolide
CID 176630
Dihydroalantolactone
CID 10633476
Naphtho(2,3-b)furan-2(3H)-one, 3a,4,4a,8a,9,9a-hexahydro-3,5,8a-trimethyl-, (3S-(3alpha,3abeta,4abeta,8aalpha,9abeta))-
CID 155586
3,5,8a-Trimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
CID 13769915
(3S,3aS,5aR,9aR,9bS)-3,5a,9-trimethyl-3,3a,4,5,6,7,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
CID 10900577
(3S,3aS,5aS,9S,9aS,9bS)-3,5a,9-trimethyl-3a,4,5,9,9a,9b-hexahydro-3H-benzo[g][1]benzofuran-2,8-dione
CID 12599245
(1R,4S,8R,9S,12R)-4,8-dimethyl-10-methylidene-9-[(2E)-3-methylpenta-2,4-dienyl]-2-oxatricyclo[6.3.1.04,12]dodecan-3-one
CID 10733005
Lemnal-1(10)-Ene-2,12-Dione
CID 21585566
(3R,3aR,9S,9aR,9bS)-3,9,9a-trimethyl-3,3a,4,5,7,8,9,9b-octahydrobenzo[g][1]benzofuran-2-one
CID 636527
(3R,3aR,9S,9aS,9bS)-3,9,9a-trimethyl-3,3a,4,5,7,8,9,9b-octahydrobenzo[g][1]benzofuran-2-one
CID 10331606
(3S,3aS,5aS,9aS,9bS)-3,5a,9-trimethyl-3,3a,4,5,9a,9b-hexahydrobenzo[g][1]benzofuran-2-one
CID 11117930
Oblongolide D
CID 11608364

Frequently Asked Questions

What is the IUPAC name of (1R,6S,9R)-7,7-dimethyl-10-oxatricyclo[7.2.1.01,6]dodec-4-en-11-one?
The IUPAC name of (1R,6S,9R)-7,7-dimethyl-10-oxatricyclo[7.2.1.01,6]dodec-4-en-11-one (CID 11030998) is (1R,6S,9R)-7,7-dimethyl-10-oxatricyclo[7.2.1.01,6]dodec-4-en-11-one.
What is the SMILES notation for (1R,6S,9R)-7,7-dimethyl-10-oxatricyclo[7.2.1.01,6]dodec-4-en-11-one?
The canonical SMILES for (1R,6S,9R)-7,7-dimethyl-10-oxatricyclo[7.2.1.01,6]dodec-4-en-11-one is CC1(C)C[C@@H]2C[C@@]3(CCC=C[C@@H]13)C(=O)O2.
What is the InChIKey of (1R,6S,9R)-7,7-dimethyl-10-oxatricyclo[7.2.1.01,6]dodec-4-en-11-one?
The InChIKey is UWIXJEYHWFVNNQ-GBIKHYSHSA-N. The full InChI is InChI=1S/C13H18O2/c1-12(2)7-9-8-13(11(14)15-9)6-4-3-5-10(12)13/h3,5,9-10H,4,6-8H2,1-2H3/t9-,10+,13-/m1/s1.
What are the key properties of (1R,6S,9R)-7,7-dimethyl-10-oxatricyclo[7.2.1.01,6]dodec-4-en-11-one?
(1R,6S,9R)-7,7-dimethyl-10-oxatricyclo[7.2.1.01,6]dodec-4-en-11-one has a molecular weight of 206.28 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,9R)-7,7-dimethyl-10-oxatricyclo[7.2.1.01,6]dodec-4-en-11-one is sourced from PubChem (CID 11030998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).