(1R,8R)-1-methoxy-5,5,10,10-tetramethyl-2,9-dioxatricyclo[6.3.1.04,12]dodec-4(12)-ene

C15H24O3 — CID 53474806

IUPAC(1R,8R)-1-methoxy-5,5,10,10-tetramethyl-2,9-dioxatricyclo[6.3.1.04,12]dodec-4(12)-ene
SMILESCO[C@@]12CC(C)(C)O[C@@H]3CCC(C)(C)C(=C31)CO2
InChIInChI=1S/C15H24O3/c1-13(2)7-6-11-12-10(13)8-17-15(12,16-5)9-14(3,4)18-11/h11H,6-9H2,1-5H3/t11-,15-/m1/s1
InChIKeyTUYBQPRJQUANIL-IAQYHMDHSA-N
MW252.35 g/mol
LogP3.04
Rot. Bonds1

About (1R,8R)-1-methoxy-5,5,10,10-tetramethyl-2,9-dioxatricyclo[6.3.1.04,12]dodec-4(12)-ene

(1R,8R)-1-methoxy-5,5,10,10-tetramethyl-2,9-dioxatricyclo[6.3.1.04,12]dodec-4(12)-ene (PubChem CID 53474806) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (1R,8R)-1-methoxy-5,5,10,10-tetramethyl-2,9-dioxatricyclo[6.3.1.04,12]dodec-4(12)-ene.

Molecular Properties

Compound Name(1R,8R)-1-methoxy-5,5,10,10-tetramethyl-2,9-dioxatricyclo[6.3.1.04,12]dodec-4(12)-ene
PubChem CID53474806
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(1R,8R)-1-methoxy-5,5,10,10-tetramethyl-2,9-dioxatricyclo[6.3.1.04,12]dodec-4(12)-ene
SMILESCO[C@@]12CC(C)(C)O[C@@H]3CCC(C)(C)C(=C31)CO2
InChIInChI=1S/C15H24O3/c1-13(2)7-6-11-12-10(13)8-17-15(12,16-5)9-14(3,4)18-11/h11H,6-9H2,1-5H3/t11-,15-/m1/s1
InChIKeyTUYBQPRJQUANIL-IAQYHMDHSA-N
XLogP3.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (1R,8R)-1-methoxy-5,5,10,10-tetramethyl-2,9-dioxatricyclo[6.3.1.04,12]dodec-4(12)-ene?
The IUPAC name of (1R,8R)-1-methoxy-5,5,10,10-tetramethyl-2,9-dioxatricyclo[6.3.1.04,12]dodec-4(12)-ene (CID 53474806) is (1R,8R)-1-methoxy-5,5,10,10-tetramethyl-2,9-dioxatricyclo[6.3.1.04,12]dodec-4(12)-ene.
What is the SMILES notation for (1R,8R)-1-methoxy-5,5,10,10-tetramethyl-2,9-dioxatricyclo[6.3.1.04,12]dodec-4(12)-ene?
The canonical SMILES for (1R,8R)-1-methoxy-5,5,10,10-tetramethyl-2,9-dioxatricyclo[6.3.1.04,12]dodec-4(12)-ene is CO[C@@]12CC(C)(C)O[C@@H]3CCC(C)(C)C(=C31)CO2.
What is the InChIKey of (1R,8R)-1-methoxy-5,5,10,10-tetramethyl-2,9-dioxatricyclo[6.3.1.04,12]dodec-4(12)-ene?
The InChIKey is TUYBQPRJQUANIL-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H24O3/c1-13(2)7-6-11-12-10(13)8-17-15(12,16-5)9-14(3,4)18-11/h11H,6-9H2,1-5H3/t11-,15-/m1/s1.
What are the key properties of (1R,8R)-1-methoxy-5,5,10,10-tetramethyl-2,9-dioxatricyclo[6.3.1.04,12]dodec-4(12)-ene?
(1R,8R)-1-methoxy-5,5,10,10-tetramethyl-2,9-dioxatricyclo[6.3.1.04,12]dodec-4(12)-ene has a molecular weight of 252.35 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-1-methoxy-5,5,10,10-tetramethyl-2,9-dioxatricyclo[6.3.1.04,12]dodec-4(12)-ene is sourced from PubChem (CID 53474806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).