(3R,4S)-3-ethoxy-4-(2-ethoxyethyl)cyclopentene

C11H20O2 — CID 24745088

IUPAC(3R,4S)-3-ethoxy-4-(2-ethoxyethyl)cyclopentene
SMILESCCOCC[C@@H]1CC=C[C@@H]1OCC
InChIInChI=1S/C11H20O2/c1-3-12-9-8-10-6-5-7-11(10)13-4-2/h5,7,10-11H,3-4,6,8-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyGJQOUKFHZPNIAK-QWRGUYRKSA-N
MW184.28 g/mol
LogP2.39
Rot. Bonds6

About (3R,4S)-3-ethoxy-4-(2-ethoxyethyl)cyclopentene

(3R,4S)-3-ethoxy-4-(2-ethoxyethyl)cyclopentene (PubChem CID 24745088) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (3R,4S)-3-ethoxy-4-(2-ethoxyethyl)cyclopentene.

Molecular Properties

Compound Name(3R,4S)-3-ethoxy-4-(2-ethoxyethyl)cyclopentene
PubChem CID24745088
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(3R,4S)-3-ethoxy-4-(2-ethoxyethyl)cyclopentene
SMILESCCOCC[C@@H]1CC=C[C@@H]1OCC
InChIInChI=1S/C11H20O2/c1-3-12-9-8-10-6-5-7-11(10)13-4-2/h5,7,10-11H,3-4,6,8-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyGJQOUKFHZPNIAK-QWRGUYRKSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-ethoxy-4-(2-ethoxyethyl)cyclopentene?
The IUPAC name of (3R,4S)-3-ethoxy-4-(2-ethoxyethyl)cyclopentene (CID 24745088) is (3R,4S)-3-ethoxy-4-(2-ethoxyethyl)cyclopentene.
What is the SMILES notation for (3R,4S)-3-ethoxy-4-(2-ethoxyethyl)cyclopentene?
The canonical SMILES for (3R,4S)-3-ethoxy-4-(2-ethoxyethyl)cyclopentene is CCOCC[C@@H]1CC=C[C@@H]1OCC.
What is the InChIKey of (3R,4S)-3-ethoxy-4-(2-ethoxyethyl)cyclopentene?
The InChIKey is GJQOUKFHZPNIAK-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-12-9-8-10-6-5-7-11(10)13-4-2/h5,7,10-11H,3-4,6,8-9H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of (3R,4S)-3-ethoxy-4-(2-ethoxyethyl)cyclopentene?
(3R,4S)-3-ethoxy-4-(2-ethoxyethyl)cyclopentene has a molecular weight of 184.28 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-ethoxy-4-(2-ethoxyethyl)cyclopentene is sourced from PubChem (CID 24745088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).