6,7,10-trihydroxy-4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-9-en-11-one

C15H22O4 — CID 163057071

IUPAC6,7,10-trihydroxy-4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-9-en-11-one
SMILESCC1(C)CC2C3CC(C)(C=C(O)C3=O)C(O)C(O)C21
InChIInChI=1S/C15H22O4/c1-14(2)4-7-8-5-15(3,6-9(16)11(8)17)13(19)12(18)10(7)14/h6-8,10,12-13,16,18-19H,4-5H2,1-3H3
InChIKeyHLOLZJQTBAHVLG-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.42
Rot. Bonds

About 6,7,10-trihydroxy-4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-9-en-11-one

6,7,10-trihydroxy-4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-9-en-11-one (PubChem CID 163057071) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6,7,10-trihydroxy-4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-9-en-11-one.

Molecular Properties

Compound Name6,7,10-trihydroxy-4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-9-en-11-one
PubChem CID163057071
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name6,7,10-trihydroxy-4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-9-en-11-one
SMILESCC1(C)CC2C3CC(C)(C=C(O)C3=O)C(O)C(O)C21
InChIInChI=1S/C15H22O4/c1-14(2)4-7-8-5-15(3,6-9(16)11(8)17)13(19)12(18)10(7)14/h6-8,10,12-13,16,18-19H,4-5H2,1-3H3
InChIKeyHLOLZJQTBAHVLG-UHFFFAOYSA-N
XLogP1.42
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6,7,10-trihydroxy-4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-9-en-11-one with MolForge

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Related Compounds

(1R,2R,3S,6S,7R)-3-hydroxy-1,4,4,11-tetramethyltricyclo[5.2.2.02,6]undec-10-en-8-one
CID 10752184
(1S,5S,8R)-3-hydroxy-8-(2-methoxypropan-2-yl)-5-methylbicyclo[3.3.1]non-3-en-2-one
CID 24808751
(1R,2R,4E,9S)-2-hydroxy-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-3-one
CID 44593338
(5R,5aR,8aR,9S,9aS)-9-hydroxy-5,7,7-trimethyl-1,5,5a,6,8,8a,9,9a-octahydroazuleno[5,6-c]furan-3-one
CID 14109864
3,3-dimethylcyclobutane-1,2-diol
CID 12791421
2,3,4,5,7,7-hexamethylbicyclo[4.2.0]octane
CID 91082201
[(1S,4R,5Z,7R,8S,9S)-7,8-dihydroxy-6,10,10-trimethyl-2-methylidene-3-oxo-4-bicyclo[7.2.0]undec-5-enyl] acetate
CID 6444331
2-(hydroxymethyl)-3,3,5,5-tetramethylcyclohexan-1-ol
CID 130126601
(5S)-5-hydroxy-2,4,4-trimethylcyclopent-2-en-1-one
CID 131162625
5-hydroxy-2,4,4-trimethylcyclopent-2-en-1-one
CID 130037543
(3aR,4S,7aR)-4-hydroxy-3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2H-inden-1-one
CID 10607509
(3aR,7S,7aR)-7-hydroxy-6-(2-hydroxyethyl)-2,2,7-trimethyl-1,3,3a,7a-tetrahydroinden-4-one
CID 162937403

Frequently Asked Questions

What is the IUPAC name of 6,7,10-trihydroxy-4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-9-en-11-one?
The IUPAC name of 6,7,10-trihydroxy-4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-9-en-11-one (CID 163057071) is 6,7,10-trihydroxy-4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-9-en-11-one.
What is the SMILES notation for 6,7,10-trihydroxy-4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-9-en-11-one?
The canonical SMILES for 6,7,10-trihydroxy-4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-9-en-11-one is CC1(C)CC2C3CC(C)(C=C(O)C3=O)C(O)C(O)C21.
What is the InChIKey of 6,7,10-trihydroxy-4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-9-en-11-one?
The InChIKey is HLOLZJQTBAHVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-14(2)4-7-8-5-15(3,6-9(16)11(8)17)13(19)12(18)10(7)14/h6-8,10,12-13,16,18-19H,4-5H2,1-3H3.
What are the key properties of 6,7,10-trihydroxy-4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-9-en-11-one?
6,7,10-trihydroxy-4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-9-en-11-one has a molecular weight of 266.34 g/mol, XLogP of 1.42, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,10-trihydroxy-4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-9-en-11-one is sourced from PubChem (CID 163057071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).