1,3-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one

C11H14O2 — CID 71381736

IUPAC1,3-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
SMILESCC12C=CC3C(COC3(C)C1=O)C2
InChIInChI=1S/C11H14O2/c1-10-4-3-8-7(5-10)6-13-11(8,2)9(10)12/h3-4,7-8H,5-6H2,1-2H3
InChIKeyHYJHVMASIUIFOR-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.56
Rot. Bonds

About 1,3-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one

1,3-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one (PubChem CID 71381736) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1,3-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one.

Molecular Properties

Compound Name1,3-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
PubChem CID71381736
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1,3-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
SMILESCC12C=CC3C(COC3(C)C1=O)C2
InChIInChI=1S/C11H14O2/c1-10-4-3-8-7(5-10)6-13-11(8,2)9(10)12/h3-4,7-8H,5-6H2,1-2H3
InChIKeyHYJHVMASIUIFOR-UHFFFAOYSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6,9-Trimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 164671241
4-Oxa-tricyclo(4,3,1,03,7)dec-8-en-2-one
CID 129847970
8-Bromo-3,6,9-trimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 134982755
11'-Methylspiro[oxirane-2,8'-tricyclo[5.2.2.01,5]undeca-3,10-diene]-9'-one
CID 135022992
(1S,3S,6S,7R,10S)-1-methyl-10-propan-2-yl-4-oxatricyclo[4.3.1.03,7]dec-8-ene-2,5-dione
CID 139095253
(1R,3R,6R,7S,10S)-7-methyl-10-propan-2-yl-4-oxatricyclo[4.3.1.03,7]dec-8-ene-2,5-dione
CID 139095254
(1S,3R,6R,7S)-8-bromo-3-methoxy-1-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 10967671
(1S,3R,6R,7R,10R)-3-methoxy-1,8,10-trimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 23649811
3-Methoxy-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 72828554
3-Methoxy-10-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 85166895
10-Ethenyl-3-methoxy-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 85288053
3-Methoxy-8,10-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 100982221

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
The IUPAC name of 1,3-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one (CID 71381736) is 1,3-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one.
What is the SMILES notation for 1,3-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
The canonical SMILES for 1,3-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one is CC12C=CC3C(COC3(C)C1=O)C2.
What is the InChIKey of 1,3-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
The InChIKey is HYJHVMASIUIFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-10-4-3-8-7(5-10)6-13-11(8,2)9(10)12/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
1,3-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one has a molecular weight of 178.23 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one is sourced from PubChem (CID 71381736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).