6-methyl-3-oxatricyclo[5.2.2.01,5]undec-5-ene

C11H16O — CID 135057003

IUPAC6-methyl-3-oxatricyclo[5.2.2.01,5]undec-5-ene
SMILESCC1=C2COCC23CCC1CC3
InChIInChI=1S/C11H16O/c1-8-9-2-4-11(5-3-9)7-12-6-10(8)11/h9H,2-7H2,1H3
InChIKeyFMYVNSODSXDUTD-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.52
Rot. Bonds

About 6-methyl-3-oxatricyclo[5.2.2.01,5]undec-5-ene

6-methyl-3-oxatricyclo[5.2.2.01,5]undec-5-ene (PubChem CID 135057003) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 6-methyl-3-oxatricyclo[5.2.2.01,5]undec-5-ene.

Molecular Properties

Compound Name6-methyl-3-oxatricyclo[5.2.2.01,5]undec-5-ene
PubChem CID135057003
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name6-methyl-3-oxatricyclo[5.2.2.01,5]undec-5-ene
SMILESCC1=C2COCC23CCC1CC3
InChIInChI=1S/C11H16O/c1-8-9-2-4-11(5-3-9)7-12-6-10(8)11/h9H,2-7H2,1H3
InChIKeyFMYVNSODSXDUTD-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.52
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

(9aS,9bR)-6,6,9a-trimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran
CID 44363129
Decahydro naphthofuran
CID 68467351
(1S,8R)-6-methyl-3-oxatricyclo[6.2.1.01,5]undec-5-ene
CID 135057222
(5aS,9aS,9bR)-6,6,9a-trimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran
CID 102144540
3a,6,6-Trimethyl-1,2,4,5,5a,7,8,9-octahydrobenzo[e][1]benzofuran
CID 19937275
6,6-dimethyl-2,3a,4,5,5a,7,8,9-octahydro-1H-benzo[e][1]benzofuran
CID 54220026
(3aS,5aR,9bR)-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydro-2H-benzo[g][1]benzofuran
CID 66716257
1,1,2,2-Tetramethyl-3a,4,5,5a,6,7,8,9-octahydrobenzo[e][1]benzofuran
CID 69171149
6,6,9a-Trimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran
CID 75016443
3a,6,6-Trimethyl-1,3,4,5-tetrahydro-2-benzofuran
CID 141501545
2,4',5,5-Tetramethyl-3-(3-methylpentyl)spiro[7-oxabicyclo[2.2.1]hept-2-ene-6,1'-cyclohexane]
CID 141801130
1,1,2-trimethyl-3a,4,5,5a,6,7,8,9-octahydro-2H-benzo[e][1]benzofuran
CID 154107789

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-oxatricyclo[5.2.2.01,5]undec-5-ene?
The IUPAC name of 6-methyl-3-oxatricyclo[5.2.2.01,5]undec-5-ene (CID 135057003) is 6-methyl-3-oxatricyclo[5.2.2.01,5]undec-5-ene.
What is the SMILES notation for 6-methyl-3-oxatricyclo[5.2.2.01,5]undec-5-ene?
The canonical SMILES for 6-methyl-3-oxatricyclo[5.2.2.01,5]undec-5-ene is CC1=C2COCC23CCC1CC3.
What is the InChIKey of 6-methyl-3-oxatricyclo[5.2.2.01,5]undec-5-ene?
The InChIKey is FMYVNSODSXDUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-8-9-2-4-11(5-3-9)7-12-6-10(8)11/h9H,2-7H2,1H3.
What are the key properties of 6-methyl-3-oxatricyclo[5.2.2.01,5]undec-5-ene?
6-methyl-3-oxatricyclo[5.2.2.01,5]undec-5-ene has a molecular weight of 164.25 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-oxatricyclo[5.2.2.01,5]undec-5-ene is sourced from PubChem (CID 135057003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).