1,6-dihydroxy-4,6,11-trimethyl-5-oxatricyclo[6.3.1.04,12]dodec-8(12)-en-7-one

C14H20O4 — CID 75283054

IUPAC1,6-dihydroxy-4,6,11-trimethyl-5-oxatricyclo[6.3.1.04,12]dodec-8(12)-en-7-one
SMILESCC1CCC2=C3C(C)(CCC31O)OC(C)(O)C2=O
InChIInChI=1S/C14H20O4/c1-8-4-5-9-10-12(2,6-7-14(8,10)17)18-13(3,16)11(9)15/h8,16-17H,4-7H2,1-3H3
InChIKeyGWRCZEGABJXNOQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.30
Rot. Bonds

About 1,6-dihydroxy-4,6,11-trimethyl-5-oxatricyclo[6.3.1.04,12]dodec-8(12)-en-7-one

1,6-dihydroxy-4,6,11-trimethyl-5-oxatricyclo[6.3.1.04,12]dodec-8(12)-en-7-one (PubChem CID 75283054) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1,6-dihydroxy-4,6,11-trimethyl-5-oxatricyclo[6.3.1.04,12]dodec-8(12)-en-7-one.

Molecular Properties

Compound Name1,6-dihydroxy-4,6,11-trimethyl-5-oxatricyclo[6.3.1.04,12]dodec-8(12)-en-7-one
PubChem CID75283054
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name1,6-dihydroxy-4,6,11-trimethyl-5-oxatricyclo[6.3.1.04,12]dodec-8(12)-en-7-one
SMILESCC1CCC2=C3C(C)(CCC31O)OC(C)(O)C2=O
InChIInChI=1S/C14H20O4/c1-8-4-5-9-10-12(2,6-7-14(8,10)17)18-13(3,16)11(9)15/h8,16-17H,4-7H2,1-3H3
InChIKeyGWRCZEGABJXNOQ-UHFFFAOYSA-N
XLogP1.30
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,6-dihydroxy-4,6,11-trimethyl-5-oxatricyclo[6.3.1.04,12]dodec-8(12)-en-7-one with MolForge

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Related Compounds

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CID 164781652
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CID 130028580
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2-(1-hydroxy-2-methylcyclobutyl)furan-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1,6-dihydroxy-4,6,11-trimethyl-5-oxatricyclo[6.3.1.04,12]dodec-8(12)-en-7-one?
The IUPAC name of 1,6-dihydroxy-4,6,11-trimethyl-5-oxatricyclo[6.3.1.04,12]dodec-8(12)-en-7-one (CID 75283054) is 1,6-dihydroxy-4,6,11-trimethyl-5-oxatricyclo[6.3.1.04,12]dodec-8(12)-en-7-one.
What is the SMILES notation for 1,6-dihydroxy-4,6,11-trimethyl-5-oxatricyclo[6.3.1.04,12]dodec-8(12)-en-7-one?
The canonical SMILES for 1,6-dihydroxy-4,6,11-trimethyl-5-oxatricyclo[6.3.1.04,12]dodec-8(12)-en-7-one is CC1CCC2=C3C(C)(CCC31O)OC(C)(O)C2=O.
What is the InChIKey of 1,6-dihydroxy-4,6,11-trimethyl-5-oxatricyclo[6.3.1.04,12]dodec-8(12)-en-7-one?
The InChIKey is GWRCZEGABJXNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-8-4-5-9-10-12(2,6-7-14(8,10)17)18-13(3,16)11(9)15/h8,16-17H,4-7H2,1-3H3.
What are the key properties of 1,6-dihydroxy-4,6,11-trimethyl-5-oxatricyclo[6.3.1.04,12]dodec-8(12)-en-7-one?
1,6-dihydroxy-4,6,11-trimethyl-5-oxatricyclo[6.3.1.04,12]dodec-8(12)-en-7-one has a molecular weight of 252.31 g/mol, XLogP of 1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dihydroxy-4,6,11-trimethyl-5-oxatricyclo[6.3.1.04,12]dodec-8(12)-en-7-one is sourced from PubChem (CID 75283054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).