10-(2,2-dimethylpentan-3-yl)-11-oxatricyclo[7.2.1.01,6]dodec-2-ene

C18H30O — CID 90802713

IUPAC10-(2,2-dimethylpentan-3-yl)-11-oxatricyclo[7.2.1.01,6]dodec-2-ene
SMILESCCC(C1OC23C=CCCC2CCC1C3)C(C)(C)C
InChIInChI=1S/C18H30O/c1-5-15(17(2,3)4)16-13-9-10-14-8-6-7-11-18(14,12-13)19-16/h7,11,13-16H,5-6,8-10,12H2,1-4H3
InChIKeyICDVJSPELQBVQW-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.96
Rot. Bonds2

About 10-(2,2-dimethylpentan-3-yl)-11-oxatricyclo[7.2.1.01,6]dodec-2-ene

10-(2,2-dimethylpentan-3-yl)-11-oxatricyclo[7.2.1.01,6]dodec-2-ene (PubChem CID 90802713) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 10-(2,2-dimethylpentan-3-yl)-11-oxatricyclo[7.2.1.01,6]dodec-2-ene.

Molecular Properties

Compound Name10-(2,2-dimethylpentan-3-yl)-11-oxatricyclo[7.2.1.01,6]dodec-2-ene
PubChem CID90802713
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name10-(2,2-dimethylpentan-3-yl)-11-oxatricyclo[7.2.1.01,6]dodec-2-ene
SMILESCCC(C1OC23C=CCCC2CCC1C3)C(C)(C)C
InChIInChI=1S/C18H30O/c1-5-15(17(2,3)4)16-13-9-10-14-8-6-7-11-18(14,12-13)19-16/h7,11,13-16H,5-6,8-10,12H2,1-4H3
InChIKeyICDVJSPELQBVQW-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(2,2-dimethylpentan-3-yl)-11-oxatricyclo[7.2.1.01,6]dodec-2-ene?
The IUPAC name of 10-(2,2-dimethylpentan-3-yl)-11-oxatricyclo[7.2.1.01,6]dodec-2-ene (CID 90802713) is 10-(2,2-dimethylpentan-3-yl)-11-oxatricyclo[7.2.1.01,6]dodec-2-ene.
What is the SMILES notation for 10-(2,2-dimethylpentan-3-yl)-11-oxatricyclo[7.2.1.01,6]dodec-2-ene?
The canonical SMILES for 10-(2,2-dimethylpentan-3-yl)-11-oxatricyclo[7.2.1.01,6]dodec-2-ene is CCC(C1OC23C=CCCC2CCC1C3)C(C)(C)C.
What is the InChIKey of 10-(2,2-dimethylpentan-3-yl)-11-oxatricyclo[7.2.1.01,6]dodec-2-ene?
The InChIKey is ICDVJSPELQBVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-5-15(17(2,3)4)16-13-9-10-14-8-6-7-11-18(14,12-13)19-16/h7,11,13-16H,5-6,8-10,12H2,1-4H3.
What are the key properties of 10-(2,2-dimethylpentan-3-yl)-11-oxatricyclo[7.2.1.01,6]dodec-2-ene?
10-(2,2-dimethylpentan-3-yl)-11-oxatricyclo[7.2.1.01,6]dodec-2-ene has a molecular weight of 262.44 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,2-dimethylpentan-3-yl)-11-oxatricyclo[7.2.1.01,6]dodec-2-ene is sourced from PubChem (CID 90802713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).