1,7,9-trimethyl-12-oxatetracyclo[6.3.1.02,7.04,9]dodec-5-ene

C14H20O — CID 154110028

IUPAC1,7,9-trimethyl-12-oxatetracyclo[6.3.1.02,7.04,9]dodec-5-ene
SMILESCC12CCC3(C)C4C=CC(C)(C1C4)C3O2
InChIInChI=1S/C14H20O/c1-12-6-7-14(3)10-8-9(12)4-5-13(10,2)11(12)15-14/h4-5,9-11H,6-8H2,1-3H3
InChIKeyCOJRYVXZNHCAJP-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.16
Rot. Bonds

About 1,7,9-trimethyl-12-oxatetracyclo[6.3.1.02,7.04,9]dodec-5-ene

1,7,9-trimethyl-12-oxatetracyclo[6.3.1.02,7.04,9]dodec-5-ene (PubChem CID 154110028) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1,7,9-trimethyl-12-oxatetracyclo[6.3.1.02,7.04,9]dodec-5-ene.

Molecular Properties

Compound Name1,7,9-trimethyl-12-oxatetracyclo[6.3.1.02,7.04,9]dodec-5-ene
PubChem CID154110028
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1,7,9-trimethyl-12-oxatetracyclo[6.3.1.02,7.04,9]dodec-5-ene
SMILESCC12CCC3(C)C4C=CC(C)(C1C4)C3O2
InChIInChI=1S/C14H20O/c1-12-6-7-14(3)10-8-9(12)4-5-13(10,2)11(12)15-14/h4-5,9-11H,6-8H2,1-3H3
InChIKeyCOJRYVXZNHCAJP-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6,9-Dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene
CID 73311104
9-Methyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene
CID 102191873
(1S)-9-methyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene
CID 134940323
(-)-5,11-Epoxy-4 alpha,5 beta,10 alpha-eudesm-1-ene
CID 91748894
(1S,2R,6R,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-3-ene
CID 9859303
(6R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-3-ene
CID 70887574
(9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-3-ene
CID 173481154
(1R,6S,8S)-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodec-2-ene
CID 10353343
(1R,4R,5R)-5-methoxy-1,5-dimethyl-3-prop-2-enylbicyclo[2.2.2]oct-2-ene
CID 12157671
(1S,6S,7S,9S,10S)-9-methyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene
CID 16215521
(1S,6S,7S,9S,10R)-6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene
CID 16724110
(1R,3S,6R,7S)-3,6,9-trimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-ene
CID 24776745

Frequently Asked Questions

What is the IUPAC name of 1,7,9-trimethyl-12-oxatetracyclo[6.3.1.02,7.04,9]dodec-5-ene?
The IUPAC name of 1,7,9-trimethyl-12-oxatetracyclo[6.3.1.02,7.04,9]dodec-5-ene (CID 154110028) is 1,7,9-trimethyl-12-oxatetracyclo[6.3.1.02,7.04,9]dodec-5-ene.
What is the SMILES notation for 1,7,9-trimethyl-12-oxatetracyclo[6.3.1.02,7.04,9]dodec-5-ene?
The canonical SMILES for 1,7,9-trimethyl-12-oxatetracyclo[6.3.1.02,7.04,9]dodec-5-ene is CC12CCC3(C)C4C=CC(C)(C1C4)C3O2.
What is the InChIKey of 1,7,9-trimethyl-12-oxatetracyclo[6.3.1.02,7.04,9]dodec-5-ene?
The InChIKey is COJRYVXZNHCAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-12-6-7-14(3)10-8-9(12)4-5-13(10,2)11(12)15-14/h4-5,9-11H,6-8H2,1-3H3.
What are the key properties of 1,7,9-trimethyl-12-oxatetracyclo[6.3.1.02,7.04,9]dodec-5-ene?
1,7,9-trimethyl-12-oxatetracyclo[6.3.1.02,7.04,9]dodec-5-ene has a molecular weight of 204.31 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,9-trimethyl-12-oxatetracyclo[6.3.1.02,7.04,9]dodec-5-ene is sourced from PubChem (CID 154110028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).