2-ethoxyethoxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

C15H26O4 — CID 18336285

IUPAC2-ethoxyethoxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCCOCCOCOC(=O)C1CC2CC1C(C)C2C
InChIInChI=1S/C15H26O4/c1-4-17-5-6-18-9-19-15(16)14-8-12-7-13(14)11(3)10(12)2/h10-14H,4-9H2,1-3H3
InChIKeyQGQKOJRSONOSTO-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.47
Rot. Bonds7

About 2-ethoxyethoxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

2-ethoxyethoxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 18336285) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-ethoxyethoxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name2-ethoxyethoxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
PubChem CID18336285
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name2-ethoxyethoxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCCOCCOCOC(=O)C1CC2CC1C(C)C2C
InChIInChI=1S/C15H26O4/c1-4-17-5-6-18-9-19-15(16)14-8-12-7-13(14)11(3)10(12)2/h10-14H,4-9H2,1-3H3
InChIKeyQGQKOJRSONOSTO-UHFFFAOYSA-N
XLogP2.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethoxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of 2-ethoxyethoxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate (CID 18336285) is 2-ethoxyethoxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for 2-ethoxyethoxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for 2-ethoxyethoxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate is CCOCCOCOC(=O)C1CC2CC1C(C)C2C.
What is the InChIKey of 2-ethoxyethoxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is QGQKOJRSONOSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-4-17-5-6-18-9-19-15(16)14-8-12-7-13(14)11(3)10(12)2/h10-14H,4-9H2,1-3H3.
What are the key properties of 2-ethoxyethoxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
2-ethoxyethoxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethoxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 18336285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).