(3R,4S)-3-methoxy-4-(2-methoxyethyl)cyclopentene

C9H16O2 — CID 24745087

IUPAC(3R,4S)-3-methoxy-4-(2-methoxyethyl)cyclopentene
SMILESCOCC[C@@H]1CC=C[C@@H]1OC
InChIInChI=1S/C9H16O2/c1-10-7-6-8-4-3-5-9(8)11-2/h3,5,8-9H,4,6-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyMXPAJNUKFMCGDG-IUCAKERBSA-N
MW156.22 g/mol
LogP1.61
Rot. Bonds4

About (3R,4S)-3-methoxy-4-(2-methoxyethyl)cyclopentene

(3R,4S)-3-methoxy-4-(2-methoxyethyl)cyclopentene (PubChem CID 24745087) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (3R,4S)-3-methoxy-4-(2-methoxyethyl)cyclopentene.

Molecular Properties

Compound Name(3R,4S)-3-methoxy-4-(2-methoxyethyl)cyclopentene
PubChem CID24745087
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(3R,4S)-3-methoxy-4-(2-methoxyethyl)cyclopentene
SMILESCOCC[C@@H]1CC=C[C@@H]1OC
InChIInChI=1S/C9H16O2/c1-10-7-6-8-4-3-5-9(8)11-2/h3,5,8-9H,4,6-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyMXPAJNUKFMCGDG-IUCAKERBSA-N
XLogP1.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methoxy-4-(2-methoxyethyl)cyclopentene?
The IUPAC name of (3R,4S)-3-methoxy-4-(2-methoxyethyl)cyclopentene (CID 24745087) is (3R,4S)-3-methoxy-4-(2-methoxyethyl)cyclopentene.
What is the SMILES notation for (3R,4S)-3-methoxy-4-(2-methoxyethyl)cyclopentene?
The canonical SMILES for (3R,4S)-3-methoxy-4-(2-methoxyethyl)cyclopentene is COCC[C@@H]1CC=C[C@@H]1OC.
What is the InChIKey of (3R,4S)-3-methoxy-4-(2-methoxyethyl)cyclopentene?
The InChIKey is MXPAJNUKFMCGDG-IUCAKERBSA-N. The full InChI is InChI=1S/C9H16O2/c1-10-7-6-8-4-3-5-9(8)11-2/h3,5,8-9H,4,6-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (3R,4S)-3-methoxy-4-(2-methoxyethyl)cyclopentene?
(3R,4S)-3-methoxy-4-(2-methoxyethyl)cyclopentene has a molecular weight of 156.22 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methoxy-4-(2-methoxyethyl)cyclopentene is sourced from PubChem (CID 24745087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).