3-[(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]propan-1-ol

C17H28O2 — CID 15512998

IUPAC3-[(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]propan-1-ol
SMILESCC1(C)O[C@]23C[C@H]1CC[C@]2(C)CCC=C3CCCO
InChIInChI=1S/C17H28O2/c1-15(2)14-8-10-16(3)9-4-6-13(7-5-11-18)17(16,12-14)19-15/h6,14,18H,4-5,7-12H2,1-3H3/t14-,16+,17+/m1/s1
InChIKeyZBUDTGUWWZZPPU-PVAVHDDUSA-N
MW264.41 g/mol
LogP3.83
Rot. Bonds3

About 3-[(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]propan-1-ol

3-[(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]propan-1-ol (PubChem CID 15512998) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-[(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]propan-1-ol
PubChem CID15512998
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name3-[(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]propan-1-ol
SMILESCC1(C)O[C@]23C[C@H]1CC[C@]2(C)CCC=C3CCCO
InChIInChI=1S/C17H28O2/c1-15(2)14-8-10-16(3)9-4-6-13(7-5-11-18)17(16,12-14)19-15/h6,14,18H,4-5,7-12H2,1-3H3/t14-,16+,17+/m1/s1
InChIKeyZBUDTGUWWZZPPU-PVAVHDDUSA-N
XLogP3.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-[(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]propan-1-ol?
The IUPAC name of 3-[(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]propan-1-ol (CID 15512998) is 3-[(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]propan-1-ol?
The canonical SMILES for 3-[(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]propan-1-ol is CC1(C)O[C@]23C[C@H]1CC[C@]2(C)CCC=C3CCCO.
What is the InChIKey of 3-[(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]propan-1-ol?
The InChIKey is ZBUDTGUWWZZPPU-PVAVHDDUSA-N. The full InChI is InChI=1S/C17H28O2/c1-15(2)14-8-10-16(3)9-4-6-13(7-5-11-18)17(16,12-14)19-15/h6,14,18H,4-5,7-12H2,1-3H3/t14-,16+,17+/m1/s1.
What are the key properties of 3-[(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]propan-1-ol?
3-[(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]propan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]propan-1-ol is sourced from PubChem (CID 15512998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).