1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethanone

C11H18O3 — CID 10867289

IUPAC1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethanone
SMILESCOCC[C@@H]1C=C(C(C)=O)C[C@@H]1OC
InChIInChI=1S/C11H18O3/c1-8(12)10-6-9(4-5-13-2)11(7-10)14-3/h6,9,11H,4-5,7H2,1-3H3/t9-,11+/m1/s1
InChIKeyCPTQUBCGQODIGT-KOLCDFICSA-N
MW198.26 g/mol
LogP1.57
Rot. Bonds5

About 1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethanone

1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethanone (PubChem CID 10867289) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethanone
PubChem CID10867289
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethanone
SMILESCOCC[C@@H]1C=C(C(C)=O)C[C@@H]1OC
InChIInChI=1S/C11H18O3/c1-8(12)10-6-9(4-5-13-2)11(7-10)14-3/h6,9,11H,4-5,7H2,1-3H3/t9-,11+/m1/s1
InChIKeyCPTQUBCGQODIGT-KOLCDFICSA-N
XLogP1.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethanone?
The IUPAC name of 1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethanone (CID 10867289) is 1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethanone.
What is the SMILES notation for 1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethanone?
The canonical SMILES for 1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethanone is COCC[C@@H]1C=C(C(C)=O)C[C@@H]1OC.
What is the InChIKey of 1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethanone?
The InChIKey is CPTQUBCGQODIGT-KOLCDFICSA-N. The full InChI is InChI=1S/C11H18O3/c1-8(12)10-6-9(4-5-13-2)11(7-10)14-3/h6,9,11H,4-5,7H2,1-3H3/t9-,11+/m1/s1.
What are the key properties of 1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethanone?
1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethanone has a molecular weight of 198.26 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethanone is sourced from PubChem (CID 10867289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).