4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene

C15H22O — CID 73189547

IUPAC4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene
SMILESC=C1C2CC(CC3C(C)=CCC13)C(C)(C)O2
InChIInChI=1S/C15H22O/c1-9-5-6-12-10(2)14-8-11(7-13(9)12)15(3,4)16-14/h5,11-14H,2,6-8H2,1,3-4H3
InChIKeyUCHRRMWFDLTRHF-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.71
Rot. Bonds

About 4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene

4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene (PubChem CID 73189547) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene.

Molecular Properties

Compound Name4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene
PubChem CID73189547
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene
SMILESC=C1C2CC(CC3C(C)=CCC13)C(C)(C)O2
InChIInChI=1S/C15H22O/c1-9-5-6-12-10(2)14-8-11(7-13(9)12)15(3,4)16-14/h5,11-14H,2,6-8H2,1,3-4H3
InChIKeyUCHRRMWFDLTRHF-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.71
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

4-[(1S,2R,5S)-4,4,8-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
CID 15942662
4-[(1R,2R,5R)-4,4,8-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
CID 927532
(1R,4S,5R)-2,2,6-trimethyl-4-propyl-3-oxabicyclo[3.3.1]non-6-ene
CID 7077774
7-(iodomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene
CID 13220762
4-(4-methoxyphenyl)-2,2,6-trimethyl-3-oxabicyclo[3.3.1]non-6-ene
CID 86193191
(7R)-7-(bromomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene
CID 134964195
(1S)-2,6-dimethyl-2-(3-methylbut-2-enyl)-4-(4-methylphenyl)-3-oxabicyclo[3.3.1]non-6-ene;(1S)-2-methyl-2-(3-methylbut-2-enyl)-6-methylidene-4-(4-methylphenyl)-3-oxabicyclo[3.3.1]nonane
CID 131664903
(3aS,7R,7aR)-6-methyl-3-methylidene-3a,4,7,7a-tetrahydro-1-benzofuran-7-ol
CID 71525224
[(1R,5R,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol
CID 12600906
(3aR,4aS,8R,8aR,9aR)-8-hydroxy-5,8a-dimethyl-3-methylidene-4,4a,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
CID 163189296
5-[(1R,2R,5R)-4,4,8-trimethyl-3-azabicyclo[3.3.1]non-7-en-2-yl]quinoline
CID 177381463
2-methylidenebicyclo[3.1.1]heptane;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
CID 170851609

Frequently Asked Questions

What is the IUPAC name of 4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene?
The IUPAC name of 4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene (CID 73189547) is 4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene.
What is the SMILES notation for 4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene?
The canonical SMILES for 4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene is C=C1C2CC(CC3C(C)=CCC13)C(C)(C)O2.
What is the InChIKey of 4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene?
The InChIKey is UCHRRMWFDLTRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-9-5-6-12-10(2)14-8-11(7-13(9)12)15(3,4)16-14/h5,11-14H,2,6-8H2,1,3-4H3.
What are the key properties of 4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene?
4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene has a molecular weight of 218.34 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene is sourced from PubChem (CID 73189547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).