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

C13H18O — CID 11127079

IUPAC(1R,8S)-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one
SMILESC[C@]12C=C3CCCC[C@@]3(CCC1=O)C2
InChIInChI=1S/C13H18O/c1-12-8-10-4-2-3-6-13(10,9-12)7-5-11(12)14/h8H,2-7,9H2,1H3/t12-,13-/m1/s1
InChIKeyRIXLUPYARCIHGE-CHWSQXEVSA-N
MW190.29 g/mol
LogP3.25
Rot. Bonds

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

(1R,8S)-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one (PubChem CID 11127079) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (1R,8S)-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one.

Molecular Properties

Compound Name(1R,8S)-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one
PubChem CID11127079
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(1R,8S)-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one
SMILESC[C@]12C=C3CCCC[C@@]3(CCC1=O)C2
InChIInChI=1S/C13H18O/c1-12-8-10-4-2-3-6-13(10,9-12)7-5-11(12)14/h8H,2-7,9H2,1H3/t12-,13-/m1/s1
InChIKeyRIXLUPYARCIHGE-CHWSQXEVSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-3-methoxy-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one
CID 102001699
spiro[13.14]octacosan-28-one
CID 12738452
dispiro[5.1.58.36]hexadecane-14,16-dione
CID 163588226
N,N-dimethylmethanamine;5-methylbicyclo[3.1.0]hex-1(6)-ene
CID 175485218
(1R,8S)-7,7,8-trimethyltricyclo[6.3.1.01,6]dodec-5-en-9-one
CID 10798879
(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 7000123
(7aS)-7a-methyl-4,5,6,7-tetrahydro-1H-inden-2-one
CID 22216641
(1R,8S)-9-chloro-8-methoxytricyclo[6.2.2.01,6]dodec-6-ene-9-carbonitrile
CID 11054114
8a-methyl-1,4,5,6,7,8-hexahydroazulen-2-one
CID 577910
spiro[2.3]hexan-6-one
CID 10877057
6,9,13,16-tetrazaspiro[3.13]heptadecan-3-one
CID 101251967
(3aR,6aR)-3a,6a-dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione
CID 2802599

Frequently Asked Questions

What is the IUPAC name of (1R,8S)-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one?
The IUPAC name of (1R,8S)-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one (CID 11127079) is (1R,8S)-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one.
What is the SMILES notation for (1R,8S)-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one?
The canonical SMILES for (1R,8S)-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one is C[C@]12C=C3CCCC[C@@]3(CCC1=O)C2.
What is the InChIKey of (1R,8S)-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one?
The InChIKey is RIXLUPYARCIHGE-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H18O/c1-12-8-10-4-2-3-6-13(10,9-12)7-5-11(12)14/h8H,2-7,9H2,1H3/t12-,13-/m1/s1.
What are the key properties of (1R,8S)-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one?
(1R,8S)-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one has a molecular weight of 190.29 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one is sourced from PubChem (CID 11127079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).