2-(2-methoxyethoxy)bicyclo[2.2.1]heptane

C10H18O2 — CID 12652893

IUPAC2-(2-methoxyethoxy)bicyclo[2.2.1]heptane
SMILESCOCCOC1CC2CCC1C2
InChIInChI=1S/C10H18O2/c1-11-4-5-12-10-7-8-2-3-9(10)6-8/h8-10H,2-7H2,1H3
InChIKeyPNTNDAJEHVIGGZ-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.84
Rot. Bonds4

About 2-(2-methoxyethoxy)bicyclo[2.2.1]heptane

2-(2-methoxyethoxy)bicyclo[2.2.1]heptane (PubChem CID 12652893) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2-methoxyethoxy)bicyclo[2.2.1]heptane
PubChem CID12652893
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(2-methoxyethoxy)bicyclo[2.2.1]heptane
SMILESCOCCOC1CC2CCC1C2
InChIInChI=1S/C10H18O2/c1-11-4-5-12-10-7-8-2-3-9(10)6-8/h8-10H,2-7H2,1H3
InChIKeyPNTNDAJEHVIGGZ-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(2-methoxyethoxy)bicyclo[2.2.1]heptane (CID 12652893) is 2-(2-methoxyethoxy)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2-methoxyethoxy)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2-methoxyethoxy)bicyclo[2.2.1]heptane is COCCOC1CC2CCC1C2.
What is the InChIKey of 2-(2-methoxyethoxy)bicyclo[2.2.1]heptane?
The InChIKey is PNTNDAJEHVIGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-11-4-5-12-10-7-8-2-3-9(10)6-8/h8-10H,2-7H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)bicyclo[2.2.1]heptane?
2-(2-methoxyethoxy)bicyclo[2.2.1]heptane has a molecular weight of 170.25 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)bicyclo[2.2.1]heptane is sourced from PubChem (CID 12652893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).