(1S,2R,5R,7R,9S,12S)-1,2,5,10,12-pentamethyl-8-oxatricyclo[7.2.1.02,7]dodec-10-ene

C16H26O — CID 123305978

IUPAC(1S,2R,5R,7R,9S,12S)-1,2,5,10,12-pentamethyl-8-oxatricyclo[7.2.1.02,7]dodec-10-ene
SMILESCC1=C[C@@]2(C)[C@H](C)[C@@H]1O[C@@H]1C[C@H](C)CC[C@@]12C
InChIInChI=1S/C16H26O/c1-10-6-7-15(4)13(8-10)17-14-11(2)9-16(15,5)12(14)3/h9-10,12-14H,6-8H2,1-5H3/t10-,12-,13-,14-,15+,16+/m1/s1
InChIKeyHAYOMNLINCGDCC-VVUSHAQISA-N
MW234.38 g/mol
LogP4.18
Rot. Bonds

About (1S,2R,5R,7R,9S,12S)-1,2,5,10,12-pentamethyl-8-oxatricyclo[7.2.1.02,7]dodec-10-ene

(1S,2R,5R,7R,9S,12S)-1,2,5,10,12-pentamethyl-8-oxatricyclo[7.2.1.02,7]dodec-10-ene (PubChem CID 123305978) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (1S,2R,5R,7R,9S,12S)-1,2,5,10,12-pentamethyl-8-oxatricyclo[7.2.1.02,7]dodec-10-ene.

Molecular Properties

Compound Name(1S,2R,5R,7R,9S,12S)-1,2,5,10,12-pentamethyl-8-oxatricyclo[7.2.1.02,7]dodec-10-ene
PubChem CID123305978
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(1S,2R,5R,7R,9S,12S)-1,2,5,10,12-pentamethyl-8-oxatricyclo[7.2.1.02,7]dodec-10-ene
SMILESCC1=C[C@@]2(C)[C@H](C)[C@@H]1O[C@@H]1C[C@H](C)CC[C@@]12C
InChIInChI=1S/C16H26O/c1-10-6-7-15(4)13(8-10)17-14-11(2)9-16(15,5)12(14)3/h9-10,12-14H,6-8H2,1-5H3/t10-,12-,13-,14-,15+,16+/m1/s1
InChIKeyHAYOMNLINCGDCC-VVUSHAQISA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,2R,5R,7R,9S,12S)-1,2,5,10,12-pentamethyl-8-oxatricyclo[7.2.1.02,7]dodec-10-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R,7R,9S,12S)-1,2,5,10,12-pentamethyl-8-oxatricyclo[7.2.1.02,7]dodec-10-ene?
The IUPAC name of (1S,2R,5R,7R,9S,12S)-1,2,5,10,12-pentamethyl-8-oxatricyclo[7.2.1.02,7]dodec-10-ene (CID 123305978) is (1S,2R,5R,7R,9S,12S)-1,2,5,10,12-pentamethyl-8-oxatricyclo[7.2.1.02,7]dodec-10-ene.
What is the SMILES notation for (1S,2R,5R,7R,9S,12S)-1,2,5,10,12-pentamethyl-8-oxatricyclo[7.2.1.02,7]dodec-10-ene?
The canonical SMILES for (1S,2R,5R,7R,9S,12S)-1,2,5,10,12-pentamethyl-8-oxatricyclo[7.2.1.02,7]dodec-10-ene is CC1=C[C@@]2(C)[C@H](C)[C@@H]1O[C@@H]1C[C@H](C)CC[C@@]12C.
What is the InChIKey of (1S,2R,5R,7R,9S,12S)-1,2,5,10,12-pentamethyl-8-oxatricyclo[7.2.1.02,7]dodec-10-ene?
The InChIKey is HAYOMNLINCGDCC-VVUSHAQISA-N. The full InChI is InChI=1S/C16H26O/c1-10-6-7-15(4)13(8-10)17-14-11(2)9-16(15,5)12(14)3/h9-10,12-14H,6-8H2,1-5H3/t10-,12-,13-,14-,15+,16+/m1/s1.
What are the key properties of (1S,2R,5R,7R,9S,12S)-1,2,5,10,12-pentamethyl-8-oxatricyclo[7.2.1.02,7]dodec-10-ene?
(1S,2R,5R,7R,9S,12S)-1,2,5,10,12-pentamethyl-8-oxatricyclo[7.2.1.02,7]dodec-10-ene has a molecular weight of 234.38 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R,7R,9S,12S)-1,2,5,10,12-pentamethyl-8-oxatricyclo[7.2.1.02,7]dodec-10-ene is sourced from PubChem (CID 123305978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).