(1S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene

C14H22O — CID 6431303

IUPAC(1S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene
SMILESCC1(C)O[C@@]23C=CCCC2(C)CC[C@@H]1C3
InChIInChI=1S/C14H22O/c1-12(2)11-6-9-13(3)7-4-5-8-14(13,10-11)15-12/h5,8,11H,4,6-7,9-10H2,1-3H3/t11-,13?,14-/m1/s1
InChIKeyIEZDOTGOEOFYHV-AODWJNRKSA-N
MW206.33 g/mol
LogP3.69
Rot. Bonds

About (1S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene

(1S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene (PubChem CID 6431303) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (1S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene.

Molecular Properties

Compound Name(1S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene
PubChem CID6431303
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(1S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene
SMILESCC1(C)O[C@@]23C=CCCC2(C)CC[C@@H]1C3
InChIInChI=1S/C14H22O/c1-12(2)11-6-9-13(3)7-4-5-8-14(13,10-11)15-12/h5,8,11H,4,6-7,9-10H2,1-3H3/t11-,13?,14-/m1/s1
InChIKeyIEZDOTGOEOFYHV-AODWJNRKSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
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,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene?
The IUPAC name of (1S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene (CID 6431303) is (1S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene.
What is the SMILES notation for (1S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene?
The canonical SMILES for (1S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene is CC1(C)O[C@@]23C=CCCC2(C)CC[C@@H]1C3.
What is the InChIKey of (1S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene?
The InChIKey is IEZDOTGOEOFYHV-AODWJNRKSA-N. The full InChI is InChI=1S/C14H22O/c1-12(2)11-6-9-13(3)7-4-5-8-14(13,10-11)15-12/h5,8,11H,4,6-7,9-10H2,1-3H3/t11-,13?,14-/m1/s1.
What are the key properties of (1S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene?
(1S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene has a molecular weight of 206.33 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene is sourced from PubChem (CID 6431303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).