(1S,4R,7S,8S,10S)-8-ethenyl-4,5,10-trimethyltricyclo[5.3.2.01,6]dodec-5-en-8-ol

C17H26O — CID 14432891

IUPAC(1S,4R,7S,8S,10S)-8-ethenyl-4,5,10-trimethyltricyclo[5.3.2.01,6]dodec-5-en-8-ol
SMILESC=C[C@@]1(O)C[C@H](C)[C@@]23CC[C@@H](C)C(C)=C2[C@@H]1CC3
InChIInChI=1S/C17H26O/c1-5-17(18)10-12(3)16-8-6-11(2)13(4)15(16)14(17)7-9-16/h5,11-12,14,18H,1,6-10H2,2-4H3/t11-,12+,14+,16+,17-/m1/s1
InChIKeyGUJWRUPVDJOGEF-RJFUSWPYSA-N
MW246.39 g/mol
LogP4.09
Rot. Bonds1

About (1S,4R,7S,8S,10S)-8-ethenyl-4,5,10-trimethyltricyclo[5.3.2.01,6]dodec-5-en-8-ol

(1S,4R,7S,8S,10S)-8-ethenyl-4,5,10-trimethyltricyclo[5.3.2.01,6]dodec-5-en-8-ol (PubChem CID 14432891) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is (1S,4R,7S,8S,10S)-8-ethenyl-4,5,10-trimethyltricyclo[5.3.2.01,6]dodec-5-en-8-ol.

Molecular Properties

Compound Name(1S,4R,7S,8S,10S)-8-ethenyl-4,5,10-trimethyltricyclo[5.3.2.01,6]dodec-5-en-8-ol
PubChem CID14432891
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name(1S,4R,7S,8S,10S)-8-ethenyl-4,5,10-trimethyltricyclo[5.3.2.01,6]dodec-5-en-8-ol
SMILESC=C[C@@]1(O)C[C@H](C)[C@@]23CC[C@@H](C)C(C)=C2[C@@H]1CC3
InChIInChI=1S/C17H26O/c1-5-17(18)10-12(3)16-8-6-11(2)13(4)15(16)14(17)7-9-16/h5,11-12,14,18H,1,6-10H2,2-4H3/t11-,12+,14+,16+,17-/m1/s1
InChIKeyGUJWRUPVDJOGEF-RJFUSWPYSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
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 (1S,4R,7S,8S,10S)-8-ethenyl-4,5,10-trimethyltricyclo[5.3.2.01,6]dodec-5-en-8-ol?
The IUPAC name of (1S,4R,7S,8S,10S)-8-ethenyl-4,5,10-trimethyltricyclo[5.3.2.01,6]dodec-5-en-8-ol (CID 14432891) is (1S,4R,7S,8S,10S)-8-ethenyl-4,5,10-trimethyltricyclo[5.3.2.01,6]dodec-5-en-8-ol.
What is the SMILES notation for (1S,4R,7S,8S,10S)-8-ethenyl-4,5,10-trimethyltricyclo[5.3.2.01,6]dodec-5-en-8-ol?
The canonical SMILES for (1S,4R,7S,8S,10S)-8-ethenyl-4,5,10-trimethyltricyclo[5.3.2.01,6]dodec-5-en-8-ol is C=C[C@@]1(O)C[C@H](C)[C@@]23CC[C@@H](C)C(C)=C2[C@@H]1CC3.
What is the InChIKey of (1S,4R,7S,8S,10S)-8-ethenyl-4,5,10-trimethyltricyclo[5.3.2.01,6]dodec-5-en-8-ol?
The InChIKey is GUJWRUPVDJOGEF-RJFUSWPYSA-N. The full InChI is InChI=1S/C17H26O/c1-5-17(18)10-12(3)16-8-6-11(2)13(4)15(16)14(17)7-9-16/h5,11-12,14,18H,1,6-10H2,2-4H3/t11-,12+,14+,16+,17-/m1/s1.
What are the key properties of (1S,4R,7S,8S,10S)-8-ethenyl-4,5,10-trimethyltricyclo[5.3.2.01,6]dodec-5-en-8-ol?
(1S,4R,7S,8S,10S)-8-ethenyl-4,5,10-trimethyltricyclo[5.3.2.01,6]dodec-5-en-8-ol has a molecular weight of 246.39 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,7S,8S,10S)-8-ethenyl-4,5,10-trimethyltricyclo[5.3.2.01,6]dodec-5-en-8-ol is sourced from PubChem (CID 14432891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).