5-(1-ethoxyethoxymethyl)-2,3-dimethylbicyclo[2.2.1]heptane

C14H26O2 — CID 20721994

IUPAC5-(1-ethoxyethoxymethyl)-2,3-dimethylbicyclo[2.2.1]heptane
SMILESCCOC(C)OCC1CC2CC1C(C)C2C
InChIInChI=1S/C14H26O2/c1-5-15-11(4)16-8-13-6-12-7-14(13)10(3)9(12)2/h9-14H,5-8H2,1-4H3
InChIKeyXIBNQDINFBTXLD-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.31
Rot. Bonds5

About 5-(1-ethoxyethoxymethyl)-2,3-dimethylbicyclo[2.2.1]heptane

5-(1-ethoxyethoxymethyl)-2,3-dimethylbicyclo[2.2.1]heptane (PubChem CID 20721994) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 5-(1-ethoxyethoxymethyl)-2,3-dimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-(1-ethoxyethoxymethyl)-2,3-dimethylbicyclo[2.2.1]heptane
PubChem CID20721994
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name5-(1-ethoxyethoxymethyl)-2,3-dimethylbicyclo[2.2.1]heptane
SMILESCCOC(C)OCC1CC2CC1C(C)C2C
InChIInChI=1S/C14H26O2/c1-5-15-11(4)16-8-13-6-12-7-14(13)10(3)9(12)2/h9-14H,5-8H2,1-4H3
InChIKeyXIBNQDINFBTXLD-UHFFFAOYSA-N
XLogP3.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-(1-ethoxyethoxymethyl)-2,3-dimethylbicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxyethoxymethyl)-2,3-dimethylbicyclo[2.2.1]heptane?
The IUPAC name of 5-(1-ethoxyethoxymethyl)-2,3-dimethylbicyclo[2.2.1]heptane (CID 20721994) is 5-(1-ethoxyethoxymethyl)-2,3-dimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 5-(1-ethoxyethoxymethyl)-2,3-dimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 5-(1-ethoxyethoxymethyl)-2,3-dimethylbicyclo[2.2.1]heptane is CCOC(C)OCC1CC2CC1C(C)C2C.
What is the InChIKey of 5-(1-ethoxyethoxymethyl)-2,3-dimethylbicyclo[2.2.1]heptane?
The InChIKey is XIBNQDINFBTXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-5-15-11(4)16-8-13-6-12-7-14(13)10(3)9(12)2/h9-14H,5-8H2,1-4H3.
What are the key properties of 5-(1-ethoxyethoxymethyl)-2,3-dimethylbicyclo[2.2.1]heptane?
5-(1-ethoxyethoxymethyl)-2,3-dimethylbicyclo[2.2.1]heptane has a molecular weight of 226.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxyethoxymethyl)-2,3-dimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 20721994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).