(1R,2S,5R,8S)-2,8-dimethyl-5-propan-2-yl-9,10-dioxatricyclo[6.2.2.01,6]dodec-6-ene

C15H24O2 — CID 162904405

IUPAC(1R,2S,5R,8S)-2,8-dimethyl-5-propan-2-yl-9,10-dioxatricyclo[6.2.2.01,6]dodec-6-ene
SMILESCC(C)[C@H]1CC[C@H](C)[C@]23CC[C@@](C)(C=C12)OO3
InChIInChI=1S/C15H24O2/c1-10(2)12-6-5-11(3)15-8-7-14(4,16-17-15)9-13(12)15/h9-12H,5-8H2,1-4H3/t11-,12+,14-,15+/m0/s1
InChIKeyGTTLFWBBABXFSP-MYZSUADSSA-N
MW236.35 g/mol
LogP3.87
Rot. Bonds1

About (1R,2S,5R,8S)-2,8-dimethyl-5-propan-2-yl-9,10-dioxatricyclo[6.2.2.01,6]dodec-6-ene

(1R,2S,5R,8S)-2,8-dimethyl-5-propan-2-yl-9,10-dioxatricyclo[6.2.2.01,6]dodec-6-ene (PubChem CID 162904405) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1R,2S,5R,8S)-2,8-dimethyl-5-propan-2-yl-9,10-dioxatricyclo[6.2.2.01,6]dodec-6-ene.

Molecular Properties

Compound Name(1R,2S,5R,8S)-2,8-dimethyl-5-propan-2-yl-9,10-dioxatricyclo[6.2.2.01,6]dodec-6-ene
PubChem CID162904405
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1R,2S,5R,8S)-2,8-dimethyl-5-propan-2-yl-9,10-dioxatricyclo[6.2.2.01,6]dodec-6-ene
SMILESCC(C)[C@H]1CC[C@H](C)[C@]23CC[C@@](C)(C=C12)OO3
InChIInChI=1S/C15H24O2/c1-10(2)12-6-5-11(3)15-8-7-14(4,16-17-15)9-13(12)15/h9-12H,5-8H2,1-4H3/t11-,12+,14-,15+/m0/s1
InChIKeyGTTLFWBBABXFSP-MYZSUADSSA-N
XLogP3.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R,8S)-2,8-dimethyl-5-propan-2-yl-9,10-dioxatricyclo[6.2.2.01,6]dodec-6-ene?
The IUPAC name of (1R,2S,5R,8S)-2,8-dimethyl-5-propan-2-yl-9,10-dioxatricyclo[6.2.2.01,6]dodec-6-ene (CID 162904405) is (1R,2S,5R,8S)-2,8-dimethyl-5-propan-2-yl-9,10-dioxatricyclo[6.2.2.01,6]dodec-6-ene.
What is the SMILES notation for (1R,2S,5R,8S)-2,8-dimethyl-5-propan-2-yl-9,10-dioxatricyclo[6.2.2.01,6]dodec-6-ene?
The canonical SMILES for (1R,2S,5R,8S)-2,8-dimethyl-5-propan-2-yl-9,10-dioxatricyclo[6.2.2.01,6]dodec-6-ene is CC(C)[C@H]1CC[C@H](C)[C@]23CC[C@@](C)(C=C12)OO3.
What is the InChIKey of (1R,2S,5R,8S)-2,8-dimethyl-5-propan-2-yl-9,10-dioxatricyclo[6.2.2.01,6]dodec-6-ene?
The InChIKey is GTTLFWBBABXFSP-MYZSUADSSA-N. The full InChI is InChI=1S/C15H24O2/c1-10(2)12-6-5-11(3)15-8-7-14(4,16-17-15)9-13(12)15/h9-12H,5-8H2,1-4H3/t11-,12+,14-,15+/m0/s1.
What are the key properties of (1R,2S,5R,8S)-2,8-dimethyl-5-propan-2-yl-9,10-dioxatricyclo[6.2.2.01,6]dodec-6-ene?
(1R,2S,5R,8S)-2,8-dimethyl-5-propan-2-yl-9,10-dioxatricyclo[6.2.2.01,6]dodec-6-ene has a molecular weight of 236.35 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R,8S)-2,8-dimethyl-5-propan-2-yl-9,10-dioxatricyclo[6.2.2.01,6]dodec-6-ene is sourced from PubChem (CID 162904405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).