4,10-dimethyl-7-propan-2-yl-11,12-dioxatricyclo[5.3.2.01,5]dodec-5-en-4-ol

C15H24O3 — CID 72796450

IUPAC4,10-dimethyl-7-propan-2-yl-11,12-dioxatricyclo[5.3.2.01,5]dodec-5-en-4-ol
SMILESCC(C)C12C=C3C(C)(O)CCC3(OO1)C(C)CC2
InChIInChI=1S/C15H24O3/c1-10(2)14-6-5-11(3)15(18-17-14)8-7-13(4,16)12(15)9-14/h9-11,16H,5-8H2,1-4H3
InChIKeySKFOIZZOJVDBEP-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.98
Rot. Bonds1

About 4,10-dimethyl-7-propan-2-yl-11,12-dioxatricyclo[5.3.2.01,5]dodec-5-en-4-ol

4,10-dimethyl-7-propan-2-yl-11,12-dioxatricyclo[5.3.2.01,5]dodec-5-en-4-ol (PubChem CID 72796450) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 4,10-dimethyl-7-propan-2-yl-11,12-dioxatricyclo[5.3.2.01,5]dodec-5-en-4-ol.

Molecular Properties

Compound Name4,10-dimethyl-7-propan-2-yl-11,12-dioxatricyclo[5.3.2.01,5]dodec-5-en-4-ol
PubChem CID72796450
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name4,10-dimethyl-7-propan-2-yl-11,12-dioxatricyclo[5.3.2.01,5]dodec-5-en-4-ol
SMILESCC(C)C12C=C3C(C)(O)CCC3(OO1)C(C)CC2
InChIInChI=1S/C15H24O3/c1-10(2)14-6-5-11(3)15(18-17-14)8-7-13(4,16)12(15)9-14/h9-11,16H,5-8H2,1-4H3
InChIKeySKFOIZZOJVDBEP-UHFFFAOYSA-N
XLogP2.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,10-dimethyl-7-propan-2-yl-11,12-dioxatricyclo[5.3.2.01,5]dodec-5-en-4-ol?
The IUPAC name of 4,10-dimethyl-7-propan-2-yl-11,12-dioxatricyclo[5.3.2.01,5]dodec-5-en-4-ol (CID 72796450) is 4,10-dimethyl-7-propan-2-yl-11,12-dioxatricyclo[5.3.2.01,5]dodec-5-en-4-ol.
What is the SMILES notation for 4,10-dimethyl-7-propan-2-yl-11,12-dioxatricyclo[5.3.2.01,5]dodec-5-en-4-ol?
The canonical SMILES for 4,10-dimethyl-7-propan-2-yl-11,12-dioxatricyclo[5.3.2.01,5]dodec-5-en-4-ol is CC(C)C12C=C3C(C)(O)CCC3(OO1)C(C)CC2.
What is the InChIKey of 4,10-dimethyl-7-propan-2-yl-11,12-dioxatricyclo[5.3.2.01,5]dodec-5-en-4-ol?
The InChIKey is SKFOIZZOJVDBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-10(2)14-6-5-11(3)15(18-17-14)8-7-13(4,16)12(15)9-14/h9-11,16H,5-8H2,1-4H3.
What are the key properties of 4,10-dimethyl-7-propan-2-yl-11,12-dioxatricyclo[5.3.2.01,5]dodec-5-en-4-ol?
4,10-dimethyl-7-propan-2-yl-11,12-dioxatricyclo[5.3.2.01,5]dodec-5-en-4-ol has a molecular weight of 252.35 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dimethyl-7-propan-2-yl-11,12-dioxatricyclo[5.3.2.01,5]dodec-5-en-4-ol is sourced from PubChem (CID 72796450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).