(3R,4S)-3-propoxy-4-(2-propoxyethyl)cyclopentene

C13H24O2 — CID 24744770

IUPAC(3R,4S)-3-propoxy-4-(2-propoxyethyl)cyclopentene
SMILESCCCOCC[C@@H]1CC=C[C@@H]1OCCC
InChIInChI=1S/C13H24O2/c1-3-9-14-11-8-12-6-5-7-13(12)15-10-4-2/h5,7,12-13H,3-4,6,8-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyUUOBBYAFNLUVOP-STQMWFEESA-N
MW212.33 g/mol
LogP3.17
Rot. Bonds8

About (3R,4S)-3-propoxy-4-(2-propoxyethyl)cyclopentene

(3R,4S)-3-propoxy-4-(2-propoxyethyl)cyclopentene (PubChem CID 24744770) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (3R,4S)-3-propoxy-4-(2-propoxyethyl)cyclopentene.

Molecular Properties

Compound Name(3R,4S)-3-propoxy-4-(2-propoxyethyl)cyclopentene
PubChem CID24744770
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(3R,4S)-3-propoxy-4-(2-propoxyethyl)cyclopentene
SMILESCCCOCC[C@@H]1CC=C[C@@H]1OCCC
InChIInChI=1S/C13H24O2/c1-3-9-14-11-8-12-6-5-7-13(12)15-10-4-2/h5,7,12-13H,3-4,6,8-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyUUOBBYAFNLUVOP-STQMWFEESA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.17
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'}

Analyze (3R,4S)-3-propoxy-4-(2-propoxyethyl)cyclopentene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-propoxy-4-(2-propoxyethyl)cyclopentene?
The IUPAC name of (3R,4S)-3-propoxy-4-(2-propoxyethyl)cyclopentene (CID 24744770) is (3R,4S)-3-propoxy-4-(2-propoxyethyl)cyclopentene.
What is the SMILES notation for (3R,4S)-3-propoxy-4-(2-propoxyethyl)cyclopentene?
The canonical SMILES for (3R,4S)-3-propoxy-4-(2-propoxyethyl)cyclopentene is CCCOCC[C@@H]1CC=C[C@@H]1OCCC.
What is the InChIKey of (3R,4S)-3-propoxy-4-(2-propoxyethyl)cyclopentene?
The InChIKey is UUOBBYAFNLUVOP-STQMWFEESA-N. The full InChI is InChI=1S/C13H24O2/c1-3-9-14-11-8-12-6-5-7-13(12)15-10-4-2/h5,7,12-13H,3-4,6,8-11H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (3R,4S)-3-propoxy-4-(2-propoxyethyl)cyclopentene?
(3R,4S)-3-propoxy-4-(2-propoxyethyl)cyclopentene has a molecular weight of 212.33 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-propoxy-4-(2-propoxyethyl)cyclopentene is sourced from PubChem (CID 24744770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).