5,12-dihydroxy-2,3,11,11-tetramethyl-10-oxatricyclo[7.2.1.02,7]dodec-6-en-8-one

C15H22O4 — CID 574642

IUPAC5,12-dihydroxy-2,3,11,11-tetramethyl-10-oxatricyclo[7.2.1.02,7]dodec-6-en-8-one
SMILESCC1CC(O)C=C2C(=O)C3OC(C)(C)C(C3O)C21C
InChIInChI=1S/C15H22O4/c1-7-5-8(16)6-9-10(17)12-11(18)13(15(7,9)4)14(2,3)19-12/h6-8,11-13,16,18H,5H2,1-4H3
InChIKeyUAWMMIOHXUXLQS-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.06
Rot. Bonds

About 5,12-dihydroxy-2,3,11,11-tetramethyl-10-oxatricyclo[7.2.1.02,7]dodec-6-en-8-one

5,12-dihydroxy-2,3,11,11-tetramethyl-10-oxatricyclo[7.2.1.02,7]dodec-6-en-8-one (PubChem CID 574642) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5,12-dihydroxy-2,3,11,11-tetramethyl-10-oxatricyclo[7.2.1.02,7]dodec-6-en-8-one.

Molecular Properties

Compound Name5,12-dihydroxy-2,3,11,11-tetramethyl-10-oxatricyclo[7.2.1.02,7]dodec-6-en-8-one
PubChem CID574642
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name5,12-dihydroxy-2,3,11,11-tetramethyl-10-oxatricyclo[7.2.1.02,7]dodec-6-en-8-one
SMILESCC1CC(O)C=C2C(=O)C3OC(C)(C)C(C3O)C21C
InChIInChI=1S/C15H22O4/c1-7-5-8(16)6-9-10(17)12-11(18)13(15(7,9)4)14(2,3)19-12/h6-8,11-13,16,18H,5H2,1-4H3
InChIKeyUAWMMIOHXUXLQS-UHFFFAOYSA-N
XLogP1.06
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5,12-dihydroxy-2,3,11,11-tetramethyl-10-oxatricyclo[7.2.1.02,7]dodec-6-en-8-one with MolForge

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Related Compounds

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CID 162820138
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CID 130149133
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(3R,4R,6S)-2,2,6-trimethyloxane-3,4-diol
CID 178008700
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CID 146682542
(5R,6aR,7S,8S,10aR)-5-hydroxy-7-[2-[(2S)-2-hydroxy-5-oxo-2H-furan-3-yl]ethyl]-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one
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Frequently Asked Questions

What is the IUPAC name of 5,12-dihydroxy-2,3,11,11-tetramethyl-10-oxatricyclo[7.2.1.02,7]dodec-6-en-8-one?
The IUPAC name of 5,12-dihydroxy-2,3,11,11-tetramethyl-10-oxatricyclo[7.2.1.02,7]dodec-6-en-8-one (CID 574642) is 5,12-dihydroxy-2,3,11,11-tetramethyl-10-oxatricyclo[7.2.1.02,7]dodec-6-en-8-one.
What is the SMILES notation for 5,12-dihydroxy-2,3,11,11-tetramethyl-10-oxatricyclo[7.2.1.02,7]dodec-6-en-8-one?
The canonical SMILES for 5,12-dihydroxy-2,3,11,11-tetramethyl-10-oxatricyclo[7.2.1.02,7]dodec-6-en-8-one is CC1CC(O)C=C2C(=O)C3OC(C)(C)C(C3O)C21C.
What is the InChIKey of 5,12-dihydroxy-2,3,11,11-tetramethyl-10-oxatricyclo[7.2.1.02,7]dodec-6-en-8-one?
The InChIKey is UAWMMIOHXUXLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-7-5-8(16)6-9-10(17)12-11(18)13(15(7,9)4)14(2,3)19-12/h6-8,11-13,16,18H,5H2,1-4H3.
What are the key properties of 5,12-dihydroxy-2,3,11,11-tetramethyl-10-oxatricyclo[7.2.1.02,7]dodec-6-en-8-one?
5,12-dihydroxy-2,3,11,11-tetramethyl-10-oxatricyclo[7.2.1.02,7]dodec-6-en-8-one has a molecular weight of 266.34 g/mol, XLogP of 1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-dihydroxy-2,3,11,11-tetramethyl-10-oxatricyclo[7.2.1.02,7]dodec-6-en-8-one is sourced from PubChem (CID 574642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).