ethyl 2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)acetate

C13H20O2 — CID 54288365

IUPACethyl 2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)acetate
SMILESC=C1C2CCC(C2)C1(C)CC(=O)OCC
InChIInChI=1S/C13H20O2/c1-4-15-12(14)8-13(3)9(2)10-5-6-11(13)7-10/h10-11H,2,4-8H2,1,3H3
InChIKeyRBSRRIGFZVQFSY-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.93
Rot. Bonds3

About ethyl 2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)acetate

ethyl 2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 54288365) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is ethyl 2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID54288365
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Nameethyl 2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)acetate
SMILESC=C1C2CCC(C2)C1(C)CC(=O)OCC
InChIInChI=1S/C13H20O2/c1-4-15-12(14)8-13(3)9(2)10-5-6-11(13)7-10/h10-11H,2,4-8H2,1,3H3
InChIKeyRBSRRIGFZVQFSY-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of ethyl 2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)acetate (CID 54288365) is ethyl 2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for ethyl 2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for ethyl 2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)acetate is C=C1C2CCC(C2)C1(C)CC(=O)OCC.
What is the InChIKey of ethyl 2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is RBSRRIGFZVQFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-15-12(14)8-13(3)9(2)10-5-6-11(13)7-10/h10-11H,2,4-8H2,1,3H3.
What are the key properties of ethyl 2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)acetate?
ethyl 2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 208.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 54288365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).