7-(ethoxymethyl)bicyclo[2.2.1]heptane

C10H18O — CID 91410594

IUPAC7-(ethoxymethyl)bicyclo[2.2.1]heptane
SMILESCCOCC1C2CCC1CC2
InChIInChI=1S/C10H18O/c1-2-11-7-10-8-3-4-9(10)6-5-8/h8-10H,2-7H2,1H3
InChIKeyOPAVIUMTJMMIMR-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.46
Rot. Bonds3

About 7-(ethoxymethyl)bicyclo[2.2.1]heptane

7-(ethoxymethyl)bicyclo[2.2.1]heptane (PubChem CID 91410594) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 7-(ethoxymethyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-(ethoxymethyl)bicyclo[2.2.1]heptane
PubChem CID91410594
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name7-(ethoxymethyl)bicyclo[2.2.1]heptane
SMILESCCOCC1C2CCC1CC2
InChIInChI=1S/C10H18O/c1-2-11-7-10-8-3-4-9(10)6-5-8/h8-10H,2-7H2,1H3
InChIKeyOPAVIUMTJMMIMR-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(ethoxymethyl)bicyclo[2.2.1]heptane?
The IUPAC name of 7-(ethoxymethyl)bicyclo[2.2.1]heptane (CID 91410594) is 7-(ethoxymethyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 7-(ethoxymethyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 7-(ethoxymethyl)bicyclo[2.2.1]heptane is CCOCC1C2CCC1CC2.
What is the InChIKey of 7-(ethoxymethyl)bicyclo[2.2.1]heptane?
The InChIKey is OPAVIUMTJMMIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-2-11-7-10-8-3-4-9(10)6-5-8/h8-10H,2-7H2,1H3.
What are the key properties of 7-(ethoxymethyl)bicyclo[2.2.1]heptane?
7-(ethoxymethyl)bicyclo[2.2.1]heptane has a molecular weight of 154.25 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethoxymethyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 91410594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).