(1R)-3-methoxy-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one

C14H20O2 — CID 102001699

IUPAC(1R)-3-methoxy-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one
SMILESCOC1CCC2=CC3(C)C[C@]2(CCC3=O)C1
InChIInChI=1S/C14H20O2/c1-13-7-10-3-4-11(16-2)8-14(10,9-13)6-5-12(13)15/h7,11H,3-6,8-9H2,1-2H3/t11?,13?,14-/m0/s1
InChIKeyGVIYRBWBOVDCFT-UBHUBRDASA-N
MW220.31 g/mol
LogP2.87
Rot. Bonds1

About (1R)-3-methoxy-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one

(1R)-3-methoxy-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one (PubChem CID 102001699) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (1R)-3-methoxy-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one.

Molecular Properties

Compound Name(1R)-3-methoxy-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one
PubChem CID102001699
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(1R)-3-methoxy-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one
SMILESCOC1CCC2=CC3(C)C[C@]2(CCC3=O)C1
InChIInChI=1S/C14H20O2/c1-13-7-10-3-4-11(16-2)8-14(10,9-13)6-5-12(13)15/h7,11H,3-6,8-9H2,1-2H3/t11?,13?,14-/m0/s1
InChIKeyGVIYRBWBOVDCFT-UBHUBRDASA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,8S)-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one
CID 11127079
(2R,8R,9S,10R,13S,14S)-2-methoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 101378166
3-methoxycyclopentan-1-one;molecular hydrogen
CID 142607511
(4aS,7R,8aR)-7-methoxy-8a-methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one
CID 10584052
(3S,10R,13S)-3-methoxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 70857153
(3S,10R,13S)-3-methoxy-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-7,17-dione
CID 11472559
6-methoxy-1-azaspiro[3.5]nonan-2-one
CID 106874445
4-methoxycycloheptan-1-one
CID 551377
1-(4-methoxy-1-methylcyclohexyl)piperidin-4-one
CID 59419757
(4aR,5R)-4a,5-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 12704992
8-methoxy-1-oxa-3-azaspiro[4.5]decan-2-one
CID 112704509
(3aS,3bS,9aR,9bR,11aR)-2-methoxy-4,5,9a,11a-tetramethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridin-7-one
CID 57191609

Frequently Asked Questions

What is the IUPAC name of (1R)-3-methoxy-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one?
The IUPAC name of (1R)-3-methoxy-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one (CID 102001699) is (1R)-3-methoxy-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one.
What is the SMILES notation for (1R)-3-methoxy-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one?
The canonical SMILES for (1R)-3-methoxy-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one is COC1CCC2=CC3(C)C[C@]2(CCC3=O)C1.
What is the InChIKey of (1R)-3-methoxy-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one?
The InChIKey is GVIYRBWBOVDCFT-UBHUBRDASA-N. The full InChI is InChI=1S/C14H20O2/c1-13-7-10-3-4-11(16-2)8-14(10,9-13)6-5-12(13)15/h7,11H,3-6,8-9H2,1-2H3/t11?,13?,14-/m0/s1.
What are the key properties of (1R)-3-methoxy-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one?
(1R)-3-methoxy-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one has a molecular weight of 220.31 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-methoxy-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one is sourced from PubChem (CID 102001699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).