3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene

C15H24O — CID 78409657

IUPAC3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene
SMILESCC1=CC2C(C)(C)CCCC3(C)OC23CC1
InChIInChI=1S/C15H24O/c1-11-6-9-15-12(10-11)13(2,3)7-5-8-14(15,4)16-15/h10,12H,5-9H2,1-4H3
InChIKeyFDCRKPAGAMPEAD-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.08
Rot. Bonds

About 3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene

3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene (PubChem CID 78409657) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene.

Molecular Properties

Compound Name3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene
PubChem CID78409657
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene
SMILESCC1=CC2C(C)(C)CCCC3(C)OC23CC1
InChIInChI=1S/C15H24O/c1-11-6-9-15-12(10-11)13(2,3)7-5-8-14(15,4)16-15/h10,12H,5-9H2,1-4H3
InChIKeyFDCRKPAGAMPEAD-UHFFFAOYSA-N
XLogP4.08
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,3R,8R)-3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene
CID 15098627
Spiro-1-(cyclohex-2-ene)-2'-(5'-oxabicyclo[2.1.0]pentane), 1',4',2,6,6-pentamethyl-
CID 538896
6-(2,2,3-Trimethylcyclopent-3-enyl)-1-oxaspiro[2.5]oct-5-ene
CID 24771795
2,6-Dimethyl-2-(4-methylpent-4-enyl)-1-oxaspiro[2.5]oct-5-ene
CID 11148732
(1R,3S,8R)-3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene
CID 118976578
Himachalen oxide (beta)
CID 6431147
(1S,3R)-3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene
CID 101065846
(2S,3R)-2,6-dimethyl-2-(4-methylpent-4-enyl)-1-oxaspiro[2.5]oct-5-ene
CID 162990844
(2R,3R)-2,6-dimethyl-2-(4-methylpent-4-enyl)-1-oxaspiro[2.5]oct-5-ene
CID 162990845

Frequently Asked Questions

What is the IUPAC name of 3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene?
The IUPAC name of 3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene (CID 78409657) is 3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene.
What is the SMILES notation for 3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene?
The canonical SMILES for 3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene is CC1=CC2C(C)(C)CCCC3(C)OC23CC1.
What is the InChIKey of 3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene?
The InChIKey is FDCRKPAGAMPEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-11-6-9-15-12(10-11)13(2,3)7-5-8-14(15,4)16-15/h10,12H,5-9H2,1-4H3.
What are the key properties of 3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene?
3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene has a molecular weight of 220.36 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene is sourced from PubChem (CID 78409657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).