methyl (4R)-4-ethoxycyclopentene-1-carboxylate

C9H14O3 — CID 15937088

IUPACmethyl (4R)-4-ethoxycyclopentene-1-carboxylate
SMILESCCO[C@@H]1CC=C(C(=O)OC)C1
InChIInChI=1S/C9H14O3/c1-3-12-8-5-4-7(6-8)9(10)11-2/h4,8H,3,5-6H2,1-2H3/t8-/m1/s1
InChIKeyCTAXPRDIQBICFJ-MRVPVSSYSA-N
MW170.21 g/mol
LogP1.28
Rot. Bonds3

About methyl (4R)-4-ethoxycyclopentene-1-carboxylate

methyl (4R)-4-ethoxycyclopentene-1-carboxylate (PubChem CID 15937088) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is methyl (4R)-4-ethoxycyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-4-ethoxycyclopentene-1-carboxylate
PubChem CID15937088
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namemethyl (4R)-4-ethoxycyclopentene-1-carboxylate
SMILESCCO[C@@H]1CC=C(C(=O)OC)C1
InChIInChI=1S/C9H14O3/c1-3-12-8-5-4-7(6-8)9(10)11-2/h4,8H,3,5-6H2,1-2H3/t8-/m1/s1
InChIKeyCTAXPRDIQBICFJ-MRVPVSSYSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-ethoxycyclopentene-1-carboxylate?
The IUPAC name of methyl (4R)-4-ethoxycyclopentene-1-carboxylate (CID 15937088) is methyl (4R)-4-ethoxycyclopentene-1-carboxylate.
What is the SMILES notation for methyl (4R)-4-ethoxycyclopentene-1-carboxylate?
The canonical SMILES for methyl (4R)-4-ethoxycyclopentene-1-carboxylate is CCO[C@@H]1CC=C(C(=O)OC)C1.
What is the InChIKey of methyl (4R)-4-ethoxycyclopentene-1-carboxylate?
The InChIKey is CTAXPRDIQBICFJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14O3/c1-3-12-8-5-4-7(6-8)9(10)11-2/h4,8H,3,5-6H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl (4R)-4-ethoxycyclopentene-1-carboxylate?
methyl (4R)-4-ethoxycyclopentene-1-carboxylate has a molecular weight of 170.21 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-ethoxycyclopentene-1-carboxylate is sourced from PubChem (CID 15937088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).