11-chloro-12-hydroxy-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-10-en-3-one

C11H11ClO3 — CID 565670

IUPAC11-chloro-12-hydroxy-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-10-en-3-one
SMILESO=C1C2CC3OC4C2C=C(Cl)C(O)C4C13
InChIInChI=1S/C11H11ClO3/c12-5-1-4-3-2-6-7(9(3)13)8(10(5)14)11(4)15-6/h1,3-4,6-8,10-11,14H,2H2
InChIKeyDCUTYYDYTJLJIU-UHFFFAOYSA-N
MW226.66 g/mol
LogP0.70
Rot. Bonds

About 11-chloro-12-hydroxy-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-10-en-3-one

11-chloro-12-hydroxy-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-10-en-3-one (PubChem CID 565670) has the molecular formula C11H11ClO3 and a molecular weight of 226.66 g/mol. Its IUPAC name is 11-chloro-12-hydroxy-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-10-en-3-one.

Molecular Properties

Compound Name11-chloro-12-hydroxy-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-10-en-3-one
PubChem CID565670
Molecular FormulaC11H11ClO3
Molecular Weight226.66 g/mol
Exact Mass226.04
IUPAC Name11-chloro-12-hydroxy-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-10-en-3-one
SMILESO=C1C2CC3OC4C2C=C(Cl)C(O)C4C13
InChIInChI=1S/C11H11ClO3/c12-5-1-4-3-2-6-7(9(3)13)8(10(5)14)11(4)15-6/h1,3-4,6-8,10-11,14H,2H2
InChIKeyDCUTYYDYTJLJIU-UHFFFAOYSA-N
XLogP0.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 11-chloro-12-hydroxy-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-10-en-3-one with MolForge

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Related Compounds

12-Oxatetracyclo[5.2.1.1(2,6).1(9,11)]dodec-4-en-10-one, 4-chloro-
CID 562522
11-Chloro-10-hydroxy-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-11-en-3-one
CID 12727233
(11-Chloro-3-oxo-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-10-en-12-yl) acetate
CID 12727226
11-Chloro-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-11-en-3-one
CID 12727247

Frequently Asked Questions

What is the IUPAC name of 11-chloro-12-hydroxy-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-10-en-3-one?
The IUPAC name of 11-chloro-12-hydroxy-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-10-en-3-one (CID 565670) is 11-chloro-12-hydroxy-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-10-en-3-one.
What is the SMILES notation for 11-chloro-12-hydroxy-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-10-en-3-one?
The canonical SMILES for 11-chloro-12-hydroxy-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-10-en-3-one is O=C1C2CC3OC4C2C=C(Cl)C(O)C4C13.
What is the InChIKey of 11-chloro-12-hydroxy-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-10-en-3-one?
The InChIKey is DCUTYYDYTJLJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO3/c12-5-1-4-3-2-6-7(9(3)13)8(10(5)14)11(4)15-6/h1,3-4,6-8,10-11,14H,2H2.
What are the key properties of 11-chloro-12-hydroxy-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-10-en-3-one?
11-chloro-12-hydroxy-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-10-en-3-one has a molecular weight of 226.66 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-12-hydroxy-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-10-en-3-one is sourced from PubChem (CID 565670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).