7-(2-methoxyethoxy)-3,3-dimethylbicyclo[3.3.1]non-1-ene

C14H24O2 — CID 170008053

IUPAC7-(2-methoxyethoxy)-3,3-dimethylbicyclo[3.3.1]non-1-ene
SMILESCOCCOC1CC2=CC(C)(C)CC(C2)C1
InChIInChI=1S/C14H24O2/c1-14(2)9-11-6-12(10-14)8-13(7-11)16-5-4-15-3/h9,12-13H,4-8,10H2,1-3H3
InChIKeyLVHZXMGYJZBVHG-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.17
Rot. Bonds4

About 7-(2-methoxyethoxy)-3,3-dimethylbicyclo[3.3.1]non-1-ene

7-(2-methoxyethoxy)-3,3-dimethylbicyclo[3.3.1]non-1-ene (PubChem CID 170008053) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 7-(2-methoxyethoxy)-3,3-dimethylbicyclo[3.3.1]non-1-ene.

Molecular Properties

Compound Name7-(2-methoxyethoxy)-3,3-dimethylbicyclo[3.3.1]non-1-ene
PubChem CID170008053
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name7-(2-methoxyethoxy)-3,3-dimethylbicyclo[3.3.1]non-1-ene
SMILESCOCCOC1CC2=CC(C)(C)CC(C2)C1
InChIInChI=1S/C14H24O2/c1-14(2)9-11-6-12(10-14)8-13(7-11)16-5-4-15-3/h9,12-13H,4-8,10H2,1-3H3
InChIKeyLVHZXMGYJZBVHG-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethoxy)-3,3-dimethylbicyclo[3.3.1]non-1-ene?
The IUPAC name of 7-(2-methoxyethoxy)-3,3-dimethylbicyclo[3.3.1]non-1-ene (CID 170008053) is 7-(2-methoxyethoxy)-3,3-dimethylbicyclo[3.3.1]non-1-ene.
What is the SMILES notation for 7-(2-methoxyethoxy)-3,3-dimethylbicyclo[3.3.1]non-1-ene?
The canonical SMILES for 7-(2-methoxyethoxy)-3,3-dimethylbicyclo[3.3.1]non-1-ene is COCCOC1CC2=CC(C)(C)CC(C2)C1.
What is the InChIKey of 7-(2-methoxyethoxy)-3,3-dimethylbicyclo[3.3.1]non-1-ene?
The InChIKey is LVHZXMGYJZBVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-14(2)9-11-6-12(10-14)8-13(7-11)16-5-4-15-3/h9,12-13H,4-8,10H2,1-3H3.
What are the key properties of 7-(2-methoxyethoxy)-3,3-dimethylbicyclo[3.3.1]non-1-ene?
7-(2-methoxyethoxy)-3,3-dimethylbicyclo[3.3.1]non-1-ene has a molecular weight of 224.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethoxy)-3,3-dimethylbicyclo[3.3.1]non-1-ene is sourced from PubChem (CID 170008053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).