ethyl (3R)-3-methylcyclopentene-1-carboxylate

C9H14O2 — CID 10773187

IUPACethyl (3R)-3-methylcyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C[C@H](C)CC1
InChIInChI=1S/C9H14O2/c1-3-11-9(10)8-5-4-7(2)6-8/h6-7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeySGOLFXUQAKKJJH-SSDOTTSWSA-N
MW154.21 g/mol
LogP1.91
Rot. Bonds2

About ethyl (3R)-3-methylcyclopentene-1-carboxylate

ethyl (3R)-3-methylcyclopentene-1-carboxylate (PubChem CID 10773187) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is ethyl (3R)-3-methylcyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-3-methylcyclopentene-1-carboxylate
PubChem CID10773187
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Nameethyl (3R)-3-methylcyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C[C@H](C)CC1
InChIInChI=1S/C9H14O2/c1-3-11-9(10)8-5-4-7(2)6-8/h6-7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeySGOLFXUQAKKJJH-SSDOTTSWSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-methylcyclopentene-1-carboxylate?
The IUPAC name of ethyl (3R)-3-methylcyclopentene-1-carboxylate (CID 10773187) is ethyl (3R)-3-methylcyclopentene-1-carboxylate.
What is the SMILES notation for ethyl (3R)-3-methylcyclopentene-1-carboxylate?
The canonical SMILES for ethyl (3R)-3-methylcyclopentene-1-carboxylate is CCOC(=O)C1=C[C@H](C)CC1.
What is the InChIKey of ethyl (3R)-3-methylcyclopentene-1-carboxylate?
The InChIKey is SGOLFXUQAKKJJH-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-11-9(10)8-5-4-7(2)6-8/h6-7H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of ethyl (3R)-3-methylcyclopentene-1-carboxylate?
ethyl (3R)-3-methylcyclopentene-1-carboxylate has a molecular weight of 154.21 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-methylcyclopentene-1-carboxylate is sourced from PubChem (CID 10773187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).