(1R,6S,9R)-2-butyl-6,10,10-trimethyl-4-oxatricyclo[7.2.1.01,6]dodec-2-ene

C18H30O — CID 162716067

IUPAC(1R,6S,9R)-2-butyl-6,10,10-trimethyl-4-oxatricyclo[7.2.1.01,6]dodec-2-ene
SMILESCCCCC1=COC[C@@]2(C)CC[C@@H]3C[C@]12CC3(C)C
InChIInChI=1S/C18H30O/c1-5-6-7-15-11-19-13-17(4)9-8-14-10-18(15,17)12-16(14,2)3/h11,14H,5-10,12-13H2,1-4H3/t14-,17-,18+/m1/s1
InChIKeyCVZNKSRPMROTLI-OLMNPRSZSA-N
MW262.44 g/mol
LogP5.31
Rot. Bonds3

About (1R,6S,9R)-2-butyl-6,10,10-trimethyl-4-oxatricyclo[7.2.1.01,6]dodec-2-ene

(1R,6S,9R)-2-butyl-6,10,10-trimethyl-4-oxatricyclo[7.2.1.01,6]dodec-2-ene (PubChem CID 162716067) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is (1R,6S,9R)-2-butyl-6,10,10-trimethyl-4-oxatricyclo[7.2.1.01,6]dodec-2-ene.

Molecular Properties

Compound Name(1R,6S,9R)-2-butyl-6,10,10-trimethyl-4-oxatricyclo[7.2.1.01,6]dodec-2-ene
PubChem CID162716067
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name(1R,6S,9R)-2-butyl-6,10,10-trimethyl-4-oxatricyclo[7.2.1.01,6]dodec-2-ene
SMILESCCCCC1=COC[C@@]2(C)CC[C@@H]3C[C@]12CC3(C)C
InChIInChI=1S/C18H30O/c1-5-6-7-15-11-19-13-17(4)9-8-14-10-18(15,17)12-16(14,2)3/h11,14H,5-10,12-13H2,1-4H3/t14-,17-,18+/m1/s1
InChIKeyCVZNKSRPMROTLI-OLMNPRSZSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,6S,9R)-2-butyl-6,10,10-trimethyl-4-oxatricyclo[7.2.1.01,6]dodec-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,6S,9R)-2-butyl-6,10,10-trimethyl-4-oxatricyclo[7.2.1.01,6]dodec-2-ene?
The IUPAC name of (1R,6S,9R)-2-butyl-6,10,10-trimethyl-4-oxatricyclo[7.2.1.01,6]dodec-2-ene (CID 162716067) is (1R,6S,9R)-2-butyl-6,10,10-trimethyl-4-oxatricyclo[7.2.1.01,6]dodec-2-ene.
What is the SMILES notation for (1R,6S,9R)-2-butyl-6,10,10-trimethyl-4-oxatricyclo[7.2.1.01,6]dodec-2-ene?
The canonical SMILES for (1R,6S,9R)-2-butyl-6,10,10-trimethyl-4-oxatricyclo[7.2.1.01,6]dodec-2-ene is CCCCC1=COC[C@@]2(C)CC[C@@H]3C[C@]12CC3(C)C.
What is the InChIKey of (1R,6S,9R)-2-butyl-6,10,10-trimethyl-4-oxatricyclo[7.2.1.01,6]dodec-2-ene?
The InChIKey is CVZNKSRPMROTLI-OLMNPRSZSA-N. The full InChI is InChI=1S/C18H30O/c1-5-6-7-15-11-19-13-17(4)9-8-14-10-18(15,17)12-16(14,2)3/h11,14H,5-10,12-13H2,1-4H3/t14-,17-,18+/m1/s1.
What are the key properties of (1R,6S,9R)-2-butyl-6,10,10-trimethyl-4-oxatricyclo[7.2.1.01,6]dodec-2-ene?
(1R,6S,9R)-2-butyl-6,10,10-trimethyl-4-oxatricyclo[7.2.1.01,6]dodec-2-ene has a molecular weight of 262.44 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,9R)-2-butyl-6,10,10-trimethyl-4-oxatricyclo[7.2.1.01,6]dodec-2-ene is sourced from PubChem (CID 162716067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).