ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate

C11H18O2 — CID 15312317

IUPACethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCCOC(=O)CC1CC2CCC1C2
InChIInChI=1S/C11H18O2/c1-2-13-11(12)7-10-6-8-3-4-9(10)5-8/h8-10H,2-7H2,1H3
InChIKeyAUTDAVPVPASYDM-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.38
Rot. Bonds3

About ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate

ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 15312317) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID15312317
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCCOC(=O)CC1CC2CCC1C2
InChIInChI=1S/C11H18O2/c1-2-13-11(12)7-10-6-8-3-4-9(10)5-8/h8-10H,2-7H2,1H3
InChIKeyAUTDAVPVPASYDM-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate (CID 15312317) is ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate is CCOC(=O)CC1CC2CCC1C2.
What is the InChIKey of ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is AUTDAVPVPASYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-13-11(12)7-10-6-8-3-4-9(10)5-8/h8-10H,2-7H2,1H3.
What are the key properties of ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate?
ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 182.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 15312317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).