7-ethoxy-7-methylbicyclo[2.2.1]heptane

C10H18O — CID 13238352

IUPAC7-ethoxy-7-methylbicyclo[2.2.1]heptane
SMILESCCOC1(C)C2CCC1CC2
InChIInChI=1S/C10H18O/c1-3-11-10(2)8-4-5-9(10)7-6-8/h8-9H,3-7H2,1-2H3
InChIKeyHTNGTLUCPZPCJU-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.60
Rot. Bonds2

About 7-ethoxy-7-methylbicyclo[2.2.1]heptane

7-ethoxy-7-methylbicyclo[2.2.1]heptane (PubChem CID 13238352) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 7-ethoxy-7-methylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-ethoxy-7-methylbicyclo[2.2.1]heptane
PubChem CID13238352
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name7-ethoxy-7-methylbicyclo[2.2.1]heptane
SMILESCCOC1(C)C2CCC1CC2
InChIInChI=1S/C10H18O/c1-3-11-10(2)8-4-5-9(10)7-6-8/h8-9H,3-7H2,1-2H3
InChIKeyHTNGTLUCPZPCJU-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-7-methylbicyclo[2.2.1]heptane?
The IUPAC name of 7-ethoxy-7-methylbicyclo[2.2.1]heptane (CID 13238352) is 7-ethoxy-7-methylbicyclo[2.2.1]heptane.
What is the SMILES notation for 7-ethoxy-7-methylbicyclo[2.2.1]heptane?
The canonical SMILES for 7-ethoxy-7-methylbicyclo[2.2.1]heptane is CCOC1(C)C2CCC1CC2.
What is the InChIKey of 7-ethoxy-7-methylbicyclo[2.2.1]heptane?
The InChIKey is HTNGTLUCPZPCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-11-10(2)8-4-5-9(10)7-6-8/h8-9H,3-7H2,1-2H3.
What are the key properties of 7-ethoxy-7-methylbicyclo[2.2.1]heptane?
7-ethoxy-7-methylbicyclo[2.2.1]heptane has a molecular weight of 154.25 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-7-methylbicyclo[2.2.1]heptane is sourced from PubChem (CID 13238352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).