(1R,8S)-7,7,8-trimethyltricyclo[6.3.1.01,6]dodec-5-en-9-one

C15H22O — CID 10798879

IUPAC(1R,8S)-7,7,8-trimethyltricyclo[6.3.1.01,6]dodec-5-en-9-one
SMILESCC1(C)C2=CCCC[C@]23CCC(=O)[C@@]1(C)C3
InChIInChI=1S/C15H22O/c1-13(2)11-6-4-5-8-15(11)9-7-12(16)14(13,3)10-15/h6H,4-5,7-10H2,1-3H3/t14-,15-/m1/s1
InChIKeySYXOYGIWJYAVRK-HUUCEWRRSA-N
MW218.34 g/mol
LogP3.88
Rot. Bonds

About (1R,8S)-7,7,8-trimethyltricyclo[6.3.1.01,6]dodec-5-en-9-one

(1R,8S)-7,7,8-trimethyltricyclo[6.3.1.01,6]dodec-5-en-9-one (PubChem CID 10798879) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (1R,8S)-7,7,8-trimethyltricyclo[6.3.1.01,6]dodec-5-en-9-one.

Molecular Properties

Compound Name(1R,8S)-7,7,8-trimethyltricyclo[6.3.1.01,6]dodec-5-en-9-one
PubChem CID10798879
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(1R,8S)-7,7,8-trimethyltricyclo[6.3.1.01,6]dodec-5-en-9-one
SMILESCC1(C)C2=CCCC[C@]23CCC(=O)[C@@]1(C)C3
InChIInChI=1S/C15H22O/c1-13(2)11-6-4-5-8-15(11)9-7-12(16)14(13,3)10-15/h6H,4-5,7-10H2,1-3H3/t14-,15-/m1/s1
InChIKeySYXOYGIWJYAVRK-HUUCEWRRSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.88
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

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(1R,8S)-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one
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CID 11507370
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CID 59826471
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(7aS)-3a,7a-dimethyl-2,3,6,7-tetrahydroinden-1-one
CID 131204388
spiro[2.3]hexan-6-one
CID 10877057
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Frequently Asked Questions

What is the IUPAC name of (1R,8S)-7,7,8-trimethyltricyclo[6.3.1.01,6]dodec-5-en-9-one?
The IUPAC name of (1R,8S)-7,7,8-trimethyltricyclo[6.3.1.01,6]dodec-5-en-9-one (CID 10798879) is (1R,8S)-7,7,8-trimethyltricyclo[6.3.1.01,6]dodec-5-en-9-one.
What is the SMILES notation for (1R,8S)-7,7,8-trimethyltricyclo[6.3.1.01,6]dodec-5-en-9-one?
The canonical SMILES for (1R,8S)-7,7,8-trimethyltricyclo[6.3.1.01,6]dodec-5-en-9-one is CC1(C)C2=CCCC[C@]23CCC(=O)[C@@]1(C)C3.
What is the InChIKey of (1R,8S)-7,7,8-trimethyltricyclo[6.3.1.01,6]dodec-5-en-9-one?
The InChIKey is SYXOYGIWJYAVRK-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H22O/c1-13(2)11-6-4-5-8-15(11)9-7-12(16)14(13,3)10-15/h6H,4-5,7-10H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of (1R,8S)-7,7,8-trimethyltricyclo[6.3.1.01,6]dodec-5-en-9-one?
(1R,8S)-7,7,8-trimethyltricyclo[6.3.1.01,6]dodec-5-en-9-one has a molecular weight of 218.34 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-7,7,8-trimethyltricyclo[6.3.1.01,6]dodec-5-en-9-one is sourced from PubChem (CID 10798879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).