10,11-dichloro-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-11-en-3-one

C11H10Cl2O2 — CID 12727221

IUPAC10,11-dichloro-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-11-en-3-one
SMILESO=C1C2CC3OC4C(C=C(Cl)C(Cl)C24)C13
InChIInChI=1S/C11H10Cl2O2/c12-5-1-4-7-6-2-3(10(7)14)8(9(5)13)11(4)15-6/h1,3-4,6-9,11H,2H2
InChIKeyVZWVFTZGCLDTFD-UHFFFAOYSA-N
MW245.10 g/mol
LogP1.95
Rot. Bonds

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

10,11-dichloro-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-11-en-3-one (PubChem CID 12727221) has the molecular formula C11H10Cl2O2 and a molecular weight of 245.10 g/mol. Its IUPAC name is 10,11-dichloro-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-11-en-3-one.

Molecular Properties

Compound Name10,11-dichloro-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-11-en-3-one
PubChem CID12727221
Molecular FormulaC11H10Cl2O2
Molecular Weight245.10 g/mol
Exact Mass244.01
IUPAC Name10,11-dichloro-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-11-en-3-one
SMILESO=C1C2CC3OC4C(C=C(Cl)C(Cl)C24)C13
InChIInChI=1S/C11H10Cl2O2/c12-5-1-4-7-6-2-3(10(7)14)8(9(5)13)11(4)15-6/h1,3-4,6-9,11H,2H2
InChIKeyVZWVFTZGCLDTFD-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3,9-Epoxytricyclo[4.2.1.1(2,5)]dec-7-en-10-one, 4-chloro-
CID 539506
7-Oxatetracyclo[7.3.0.0(2,6).0(4,9)]dodec-10-en-3-one, 11,12-dichloro-
CID 557699
12-Oxatetracyclo[5.2.1.1(2,6).1(9,11)]dodec-4-en-10-one, 4-chloro-
CID 562522
11-Chloro-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-11-en-3-one
CID 12727247
3,4-Dichloro-11-oxatetracyclo[6.4.0.01,5.06,10]dodec-2-en-7-one
CID 22214685

Frequently Asked Questions

What is the IUPAC name of 10,11-dichloro-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-11-en-3-one?
The IUPAC name of 10,11-dichloro-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-11-en-3-one (CID 12727221) is 10,11-dichloro-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-11-en-3-one.
What is the SMILES notation for 10,11-dichloro-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-11-en-3-one?
The canonical SMILES for 10,11-dichloro-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-11-en-3-one is O=C1C2CC3OC4C(C=C(Cl)C(Cl)C24)C13.
What is the InChIKey of 10,11-dichloro-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-11-en-3-one?
The InChIKey is VZWVFTZGCLDTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O2/c12-5-1-4-7-6-2-3(10(7)14)8(9(5)13)11(4)15-6/h1,3-4,6-9,11H,2H2.
What are the key properties of 10,11-dichloro-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-11-en-3-one?
10,11-dichloro-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-11-en-3-one has a molecular weight of 245.10 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11-dichloro-7-oxatetracyclo[6.4.0.02,6.04,9]dodec-11-en-3-one is sourced from PubChem (CID 12727221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).