ethyl 6-methylbicyclo[2.2.1]heptane-2-carboxylate

C11H18O2 — CID 70577498

IUPACethyl 6-methylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCCOC(=O)C1CC2CC(C)C1C2
InChIInChI=1S/C11H18O2/c1-3-13-11(12)10-6-8-4-7(2)9(10)5-8/h7-10H,3-6H2,1-2H3
InChIKeyOCCJJFDUQPQMPM-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.23
Rot. Bonds2

About ethyl 6-methylbicyclo[2.2.1]heptane-2-carboxylate

ethyl 6-methylbicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 70577498) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is ethyl 6-methylbicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-methylbicyclo[2.2.1]heptane-2-carboxylate
PubChem CID70577498
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameethyl 6-methylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCCOC(=O)C1CC2CC(C)C1C2
InChIInChI=1S/C11H18O2/c1-3-13-11(12)10-6-8-4-7(2)9(10)5-8/h7-10H,3-6H2,1-2H3
InChIKeyOCCJJFDUQPQMPM-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methylbicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of ethyl 6-methylbicyclo[2.2.1]heptane-2-carboxylate (CID 70577498) is ethyl 6-methylbicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for ethyl 6-methylbicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for ethyl 6-methylbicyclo[2.2.1]heptane-2-carboxylate is CCOC(=O)C1CC2CC(C)C1C2.
What is the InChIKey of ethyl 6-methylbicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is OCCJJFDUQPQMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-13-11(12)10-6-8-4-7(2)9(10)5-8/h7-10H,3-6H2,1-2H3.
What are the key properties of ethyl 6-methylbicyclo[2.2.1]heptane-2-carboxylate?
ethyl 6-methylbicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 182.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methylbicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 70577498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).