(1R,4R,6R,7S,11S)-6-methoxy-4-propan-2-yl-5-oxatetracyclo[5.3.2.01,6.04,11]dodec-9-ene

C15H22O2 — CID 10376746

IUPAC(1R,4R,6R,7S,11S)-6-methoxy-4-propan-2-yl-5-oxatetracyclo[5.3.2.01,6.04,11]dodec-9-ene
SMILESCO[C@]12O[C@@]3(C(C)C)CC[C@]14C=CC[C@H]2C[C@@H]43
InChIInChI=1S/C15H22O2/c1-10(2)14-8-7-13-6-4-5-11(9-12(13)14)15(13,16-3)17-14/h4,6,10-12H,5,7-9H2,1-3H3/t11-,12-,13-,14+,15+/m0/s1
InChIKeySZESDGKITNCANQ-BTFPBAQTSA-N
MW234.34 g/mol
LogP3.13
Rot. Bonds2

About (1R,4R,6R,7S,11S)-6-methoxy-4-propan-2-yl-5-oxatetracyclo[5.3.2.01,6.04,11]dodec-9-ene

(1R,4R,6R,7S,11S)-6-methoxy-4-propan-2-yl-5-oxatetracyclo[5.3.2.01,6.04,11]dodec-9-ene (PubChem CID 10376746) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1R,4R,6R,7S,11S)-6-methoxy-4-propan-2-yl-5-oxatetracyclo[5.3.2.01,6.04,11]dodec-9-ene.

Molecular Properties

Compound Name(1R,4R,6R,7S,11S)-6-methoxy-4-propan-2-yl-5-oxatetracyclo[5.3.2.01,6.04,11]dodec-9-ene
PubChem CID10376746
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1R,4R,6R,7S,11S)-6-methoxy-4-propan-2-yl-5-oxatetracyclo[5.3.2.01,6.04,11]dodec-9-ene
SMILESCO[C@]12O[C@@]3(C(C)C)CC[C@]14C=CC[C@H]2C[C@@H]43
InChIInChI=1S/C15H22O2/c1-10(2)14-8-7-13-6-4-5-11(9-12(13)14)15(13,16-3)17-14/h4,6,10-12H,5,7-9H2,1-3H3/t11-,12-,13-,14+,15+/m0/s1
InChIKeySZESDGKITNCANQ-BTFPBAQTSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
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 (1R,4R,6R,7S,11S)-6-methoxy-4-propan-2-yl-5-oxatetracyclo[5.3.2.01,6.04,11]dodec-9-ene?
The IUPAC name of (1R,4R,6R,7S,11S)-6-methoxy-4-propan-2-yl-5-oxatetracyclo[5.3.2.01,6.04,11]dodec-9-ene (CID 10376746) is (1R,4R,6R,7S,11S)-6-methoxy-4-propan-2-yl-5-oxatetracyclo[5.3.2.01,6.04,11]dodec-9-ene.
What is the SMILES notation for (1R,4R,6R,7S,11S)-6-methoxy-4-propan-2-yl-5-oxatetracyclo[5.3.2.01,6.04,11]dodec-9-ene?
The canonical SMILES for (1R,4R,6R,7S,11S)-6-methoxy-4-propan-2-yl-5-oxatetracyclo[5.3.2.01,6.04,11]dodec-9-ene is CO[C@]12O[C@@]3(C(C)C)CC[C@]14C=CC[C@H]2C[C@@H]43.
What is the InChIKey of (1R,4R,6R,7S,11S)-6-methoxy-4-propan-2-yl-5-oxatetracyclo[5.3.2.01,6.04,11]dodec-9-ene?
The InChIKey is SZESDGKITNCANQ-BTFPBAQTSA-N. The full InChI is InChI=1S/C15H22O2/c1-10(2)14-8-7-13-6-4-5-11(9-12(13)14)15(13,16-3)17-14/h4,6,10-12H,5,7-9H2,1-3H3/t11-,12-,13-,14+,15+/m0/s1.
What are the key properties of (1R,4R,6R,7S,11S)-6-methoxy-4-propan-2-yl-5-oxatetracyclo[5.3.2.01,6.04,11]dodec-9-ene?
(1R,4R,6R,7S,11S)-6-methoxy-4-propan-2-yl-5-oxatetracyclo[5.3.2.01,6.04,11]dodec-9-ene has a molecular weight of 234.34 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,6R,7S,11S)-6-methoxy-4-propan-2-yl-5-oxatetracyclo[5.3.2.01,6.04,11]dodec-9-ene is sourced from PubChem (CID 10376746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).