(1S,5S)-4,8-dimethyltricyclo[3.3.1.01,5]nona-3,7-diene-2,6-dione

C11H10O2 — CID 1486161

IUPAC(1S,5S)-4,8-dimethyltricyclo[3.3.1.01,5]nona-3,7-diene-2,6-dione
SMILESCC1=CC(=O)[C@]23C[C@]12C(=O)C=C3C
InChIInChI=1S/C11H10O2/c1-6-3-8(12)11-5-10(6,11)9(13)4-7(11)2/h3-4H,5H2,1-2H3/t10-,11-/m1/s1
InChIKeyUTUNACIZHNSADK-GHMZBOCLSA-N
MW174.20 g/mol
LogP1.42
Rot. Bonds

About (1S,5S)-4,8-dimethyltricyclo[3.3.1.01,5]nona-3,7-diene-2,6-dione

(1S,5S)-4,8-dimethyltricyclo[3.3.1.01,5]nona-3,7-diene-2,6-dione (PubChem CID 1486161) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is (1S,5S)-4,8-dimethyltricyclo[3.3.1.01,5]nona-3,7-diene-2,6-dione.

Molecular Properties

Compound Name(1S,5S)-4,8-dimethyltricyclo[3.3.1.01,5]nona-3,7-diene-2,6-dione
PubChem CID1486161
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name(1S,5S)-4,8-dimethyltricyclo[3.3.1.01,5]nona-3,7-diene-2,6-dione
SMILESCC1=CC(=O)[C@]23C[C@]12C(=O)C=C3C
InChIInChI=1S/C11H10O2/c1-6-3-8(12)11-5-10(6,11)9(13)4-7(11)2/h3-4H,5H2,1-2H3/t10-,11-/m1/s1
InChIKeyUTUNACIZHNSADK-GHMZBOCLSA-N
XLogP1.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,5S)-4,8-dimethyltricyclo[3.3.1.01,5]nona-3,7-diene-2,6-dione with MolForge

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Related Compounds

(1R,6R)-9-methyltricyclo[4.3.3.01,6]dodec-8-en-7-one
CID 101241760
(6R,9S,10R,11R,12S,15R)-4-methylhexacyclo[7.6.0.01,5.05,12.06,10.011,15]pentadeca-3,7,13-trien-2-one
CID 98556963
3,4,4,6,6-pentamethylcyclohept-2-en-1-one
CID 145158727
2,2,5,6-tetramethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one
CID 10329660
(1S,2R,6R)-2,9-dimethyltricyclo[4.3.3.01,6]dodec-8-en-7-one
CID 101241761
6-hydroxy-5,6-dimethylcyclohex-4-ene-1,3-dione
CID 12768990
3,6-dihydroxy-5,6-dimethylcyclohexa-2,4-dien-1-one
CID 130030729
4,5-dimethylspiro[2.4]hept-5-en-7-one
CID 102097578
4,4-difluoro-3-methylcyclohex-2-en-1-one
CID 170721056
(1R,6S,10R)-5,5,9,10-tetramethyltricyclo[4.3.3.01,6]dodec-8-en-7-one
CID 15966563
1,3,6,6-tetramethyl-1,2-dihydropyridin-1-ium-5-one
CID 6984949
3,6,6-trimethyl-1,2-dihydropyridin-5-one;hydrochloride
CID 53444421

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-4,8-dimethyltricyclo[3.3.1.01,5]nona-3,7-diene-2,6-dione?
The IUPAC name of (1S,5S)-4,8-dimethyltricyclo[3.3.1.01,5]nona-3,7-diene-2,6-dione (CID 1486161) is (1S,5S)-4,8-dimethyltricyclo[3.3.1.01,5]nona-3,7-diene-2,6-dione.
What is the SMILES notation for (1S,5S)-4,8-dimethyltricyclo[3.3.1.01,5]nona-3,7-diene-2,6-dione?
The canonical SMILES for (1S,5S)-4,8-dimethyltricyclo[3.3.1.01,5]nona-3,7-diene-2,6-dione is CC1=CC(=O)[C@]23C[C@]12C(=O)C=C3C.
What is the InChIKey of (1S,5S)-4,8-dimethyltricyclo[3.3.1.01,5]nona-3,7-diene-2,6-dione?
The InChIKey is UTUNACIZHNSADK-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H10O2/c1-6-3-8(12)11-5-10(6,11)9(13)4-7(11)2/h3-4H,5H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (1S,5S)-4,8-dimethyltricyclo[3.3.1.01,5]nona-3,7-diene-2,6-dione?
(1S,5S)-4,8-dimethyltricyclo[3.3.1.01,5]nona-3,7-diene-2,6-dione has a molecular weight of 174.20 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-4,8-dimethyltricyclo[3.3.1.01,5]nona-3,7-diene-2,6-dione is sourced from PubChem (CID 1486161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).