3,7,10,10-tetramethyl-11-oxatricyclo[7.2.1.02,6]dodeca-2,7-diene

C15H22O — CID 91747443

IUPAC3,7,10,10-tetramethyl-11-oxatricyclo[7.2.1.02,6]dodeca-2,7-diene
SMILESCC1=CC2CC(OC2(C)C)C2=C(C)CCC12
InChIInChI=1S/C15H22O/c1-9-5-6-12-10(2)7-11-8-13(14(9)12)16-15(11,3)4/h7,11-13H,5-6,8H2,1-4H3
InChIKeySVGQUABWMVWDON-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.86
Rot. Bonds

About 3,7,10,10-tetramethyl-11-oxatricyclo[7.2.1.02,6]dodeca-2,7-diene

3,7,10,10-tetramethyl-11-oxatricyclo[7.2.1.02,6]dodeca-2,7-diene (PubChem CID 91747443) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 3,7,10,10-tetramethyl-11-oxatricyclo[7.2.1.02,6]dodeca-2,7-diene.

Molecular Properties

Compound Name3,7,10,10-tetramethyl-11-oxatricyclo[7.2.1.02,6]dodeca-2,7-diene
PubChem CID91747443
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name3,7,10,10-tetramethyl-11-oxatricyclo[7.2.1.02,6]dodeca-2,7-diene
SMILESCC1=CC2CC(OC2(C)C)C2=C(C)CCC12
InChIInChI=1S/C15H22O/c1-9-5-6-12-10(2)7-11-8-13(14(9)12)16-15(11,3)4/h7,11-13H,5-6,8H2,1-4H3
InChIKeySVGQUABWMVWDON-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
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

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(1R,3R,7S,9R)-4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene
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CID 21579279
(1S,5S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodeca-2,6-diene
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(2R,4R,4aS,7aR,10aS,10bR)-4,10-dimethyl-7-methylidene-2-(2-methylprop-1-enyl)-2,3,4,4a,5,6,7a,8,10a,10b-decahydroazuleno[4,5-b]pyran
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CID 162993842
(7S)-3,7-dimethyl-7-[(1S)-4-methylcyclohex-3-en-1-yl]-5,6-dihydro-2H-oxepine
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Frequently Asked Questions

What is the IUPAC name of 3,7,10,10-tetramethyl-11-oxatricyclo[7.2.1.02,6]dodeca-2,7-diene?
The IUPAC name of 3,7,10,10-tetramethyl-11-oxatricyclo[7.2.1.02,6]dodeca-2,7-diene (CID 91747443) is 3,7,10,10-tetramethyl-11-oxatricyclo[7.2.1.02,6]dodeca-2,7-diene.
What is the SMILES notation for 3,7,10,10-tetramethyl-11-oxatricyclo[7.2.1.02,6]dodeca-2,7-diene?
The canonical SMILES for 3,7,10,10-tetramethyl-11-oxatricyclo[7.2.1.02,6]dodeca-2,7-diene is CC1=CC2CC(OC2(C)C)C2=C(C)CCC12.
What is the InChIKey of 3,7,10,10-tetramethyl-11-oxatricyclo[7.2.1.02,6]dodeca-2,7-diene?
The InChIKey is SVGQUABWMVWDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-9-5-6-12-10(2)7-11-8-13(14(9)12)16-15(11,3)4/h7,11-13H,5-6,8H2,1-4H3.
What are the key properties of 3,7,10,10-tetramethyl-11-oxatricyclo[7.2.1.02,6]dodeca-2,7-diene?
3,7,10,10-tetramethyl-11-oxatricyclo[7.2.1.02,6]dodeca-2,7-diene has a molecular weight of 218.34 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,10,10-tetramethyl-11-oxatricyclo[7.2.1.02,6]dodeca-2,7-diene is sourced from PubChem (CID 91747443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).