1-methoxy-6,8-dimethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol

C12H18O3 — CID 101341945

IUPAC1-methoxy-6,8-dimethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol
SMILESCOC12OCC3(C)CC1(C)C(O)C=CC32
InChIInChI=1S/C12H18O3/c1-10-6-11(2)9(13)5-4-8(10)12(11,14-3)15-7-10/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyMAQXKKRZPXZFGY-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.32
Rot. Bonds1

About 1-methoxy-6,8-dimethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol

1-methoxy-6,8-dimethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol (PubChem CID 101341945) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-methoxy-6,8-dimethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol.

Molecular Properties

Compound Name1-methoxy-6,8-dimethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol
PubChem CID101341945
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-methoxy-6,8-dimethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol
SMILESCOC12OCC3(C)CC1(C)C(O)C=CC32
InChIInChI=1S/C12H18O3/c1-10-6-11(2)9(13)5-4-8(10)12(11,14-3)15-7-10/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyMAQXKKRZPXZFGY-UHFFFAOYSA-N
XLogP1.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6,8-dimethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol?
The IUPAC name of 1-methoxy-6,8-dimethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol (CID 101341945) is 1-methoxy-6,8-dimethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol.
What is the SMILES notation for 1-methoxy-6,8-dimethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol?
The canonical SMILES for 1-methoxy-6,8-dimethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol is COC12OCC3(C)CC1(C)C(O)C=CC32.
What is the InChIKey of 1-methoxy-6,8-dimethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol?
The InChIKey is MAQXKKRZPXZFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-10-6-11(2)9(13)5-4-8(10)12(11,14-3)15-7-10/h4-5,8-9,13H,6-7H2,1-3H3.
What are the key properties of 1-methoxy-6,8-dimethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol?
1-methoxy-6,8-dimethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol has a molecular weight of 210.27 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6,8-dimethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol is sourced from PubChem (CID 101341945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).