methyl 2-ethylbicyclo[2.2.1]heptane-2-carboxylate

C11H18O2 — CID 174441667

IUPACmethyl 2-ethylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCCC1(C(=O)OC)CC2CCC1C2
InChIInChI=1S/C11H18O2/c1-3-11(10(12)13-2)7-8-4-5-9(11)6-8/h8-9H,3-7H2,1-2H3
InChIKeyGUVNRRUQCQPLRJ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.38
Rot. Bonds2

About methyl 2-ethylbicyclo[2.2.1]heptane-2-carboxylate

methyl 2-ethylbicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 174441667) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is methyl 2-ethylbicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethylbicyclo[2.2.1]heptane-2-carboxylate
PubChem CID174441667
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namemethyl 2-ethylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCCC1(C(=O)OC)CC2CCC1C2
InChIInChI=1S/C11H18O2/c1-3-11(10(12)13-2)7-8-4-5-9(11)6-8/h8-9H,3-7H2,1-2H3
InChIKeyGUVNRRUQCQPLRJ-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 methyl 2-ethylbicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of methyl 2-ethylbicyclo[2.2.1]heptane-2-carboxylate (CID 174441667) is methyl 2-ethylbicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for methyl 2-ethylbicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for methyl 2-ethylbicyclo[2.2.1]heptane-2-carboxylate is CCC1(C(=O)OC)CC2CCC1C2.
What is the InChIKey of methyl 2-ethylbicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is GUVNRRUQCQPLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-11(10(12)13-2)7-8-4-5-9(11)6-8/h8-9H,3-7H2,1-2H3.
What are the key properties of methyl 2-ethylbicyclo[2.2.1]heptane-2-carboxylate?
methyl 2-ethylbicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 182.26 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethylbicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 174441667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).