methyl 2-ethylcyclopentene-1-carboxylate

C9H14O2 — CID 12527601

IUPACmethyl 2-ethylcyclopentene-1-carboxylate
SMILESCCC1=C(C(=O)OC)CCC1
InChIInChI=1S/C9H14O2/c1-3-7-5-4-6-8(7)9(10)11-2/h3-6H2,1-2H3
InChIKeyALARHMOZDOZKIV-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds2

About methyl 2-ethylcyclopentene-1-carboxylate

methyl 2-ethylcyclopentene-1-carboxylate (PubChem CID 12527601) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is methyl 2-ethylcyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethylcyclopentene-1-carboxylate
PubChem CID12527601
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namemethyl 2-ethylcyclopentene-1-carboxylate
SMILESCCC1=C(C(=O)OC)CCC1
InChIInChI=1S/C9H14O2/c1-3-7-5-4-6-8(7)9(10)11-2/h3-6H2,1-2H3
InChIKeyALARHMOZDOZKIV-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethylcyclopentene-1-carboxylate?
The IUPAC name of methyl 2-ethylcyclopentene-1-carboxylate (CID 12527601) is methyl 2-ethylcyclopentene-1-carboxylate.
What is the SMILES notation for methyl 2-ethylcyclopentene-1-carboxylate?
The canonical SMILES for methyl 2-ethylcyclopentene-1-carboxylate is CCC1=C(C(=O)OC)CCC1.
What is the InChIKey of methyl 2-ethylcyclopentene-1-carboxylate?
The InChIKey is ALARHMOZDOZKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-7-5-4-6-8(7)9(10)11-2/h3-6H2,1-2H3.
What are the key properties of methyl 2-ethylcyclopentene-1-carboxylate?
methyl 2-ethylcyclopentene-1-carboxylate has a molecular weight of 154.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethylcyclopentene-1-carboxylate is sourced from PubChem (CID 12527601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).