1-[(1S,2R)-2-[(1R,2S)-2-(methoxymethoxy)-1,3-dimethylcyclopent-3-en-1-yl]cyclopropyl]ethanone

C14H22O3 — CID 164674985

IUPAC1-[(1S,2R)-2-[(1R,2S)-2-(methoxymethoxy)-1,3-dimethylcyclopent-3-en-1-yl]cyclopropyl]ethanone
SMILESCOCO[C@H]1C(C)=CC[C@]1(C)[C@@H]1C[C@@H]1C(C)=O
InChIInChI=1S/C14H22O3/c1-9-5-6-14(3,13(9)17-8-16-4)12-7-11(12)10(2)15/h5,11-13H,6-8H2,1-4H3/t11-,12-,13+,14-/m1/s1
InChIKeyYLKTXALMQXZLNL-YIYPIFLZSA-N
MW238.33 g/mol
LogP2.56
Rot. Bonds5

About 1-[(1S,2R)-2-[(1R,2S)-2-(methoxymethoxy)-1,3-dimethylcyclopent-3-en-1-yl]cyclopropyl]ethanone

1-[(1S,2R)-2-[(1R,2S)-2-(methoxymethoxy)-1,3-dimethylcyclopent-3-en-1-yl]cyclopropyl]ethanone (PubChem CID 164674985) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(1S,2R)-2-[(1R,2S)-2-(methoxymethoxy)-1,3-dimethylcyclopent-3-en-1-yl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1S,2R)-2-[(1R,2S)-2-(methoxymethoxy)-1,3-dimethylcyclopent-3-en-1-yl]cyclopropyl]ethanone
PubChem CID164674985
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-[(1S,2R)-2-[(1R,2S)-2-(methoxymethoxy)-1,3-dimethylcyclopent-3-en-1-yl]cyclopropyl]ethanone
SMILESCOCO[C@H]1C(C)=CC[C@]1(C)[C@@H]1C[C@@H]1C(C)=O
InChIInChI=1S/C14H22O3/c1-9-5-6-14(3,13(9)17-8-16-4)12-7-11(12)10(2)15/h5,11-13H,6-8H2,1-4H3/t11-,12-,13+,14-/m1/s1
InChIKeyYLKTXALMQXZLNL-YIYPIFLZSA-N
XLogP2.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1aR,1bS,6aS)-6-(methoxymethoxymethyl)-1b-methyl-1,1a,2,4,5,6a-hexahydrocyclopropa[a]inden-3-one
CID 135043970
(10-Acetyl-9-methylspiro[4.5]dec-8-en-7-yl) acetate
CID 68727184
trans-10-Acetyl-9-methylspiro[4.5]dec-8-en-7-yl acetate
CID 86647587
[(2E)-6-(2,2-dimethylpropanoyl)cyclooct-2-en-1-yl] methyl carbonate
CID 118460779
(1S,3aR,8aR)-7-(methoxymethoxymethyl)-3a-methyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydroazulen-4-one
CID 10989629
[(1S,4Z,11S)-4,7,7,11-tetramethyl-12-oxo-6-bicyclo[9.1.0]dodec-4-enyl] acetate
CID 177612194

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-[(1R,2S)-2-(methoxymethoxy)-1,3-dimethylcyclopent-3-en-1-yl]cyclopropyl]ethanone?
The IUPAC name of 1-[(1S,2R)-2-[(1R,2S)-2-(methoxymethoxy)-1,3-dimethylcyclopent-3-en-1-yl]cyclopropyl]ethanone (CID 164674985) is 1-[(1S,2R)-2-[(1R,2S)-2-(methoxymethoxy)-1,3-dimethylcyclopent-3-en-1-yl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[(1S,2R)-2-[(1R,2S)-2-(methoxymethoxy)-1,3-dimethylcyclopent-3-en-1-yl]cyclopropyl]ethanone?
The canonical SMILES for 1-[(1S,2R)-2-[(1R,2S)-2-(methoxymethoxy)-1,3-dimethylcyclopent-3-en-1-yl]cyclopropyl]ethanone is COCO[C@H]1C(C)=CC[C@]1(C)[C@@H]1C[C@@H]1C(C)=O.
What is the InChIKey of 1-[(1S,2R)-2-[(1R,2S)-2-(methoxymethoxy)-1,3-dimethylcyclopent-3-en-1-yl]cyclopropyl]ethanone?
The InChIKey is YLKTXALMQXZLNL-YIYPIFLZSA-N. The full InChI is InChI=1S/C14H22O3/c1-9-5-6-14(3,13(9)17-8-16-4)12-7-11(12)10(2)15/h5,11-13H,6-8H2,1-4H3/t11-,12-,13+,14-/m1/s1.
What are the key properties of 1-[(1S,2R)-2-[(1R,2S)-2-(methoxymethoxy)-1,3-dimethylcyclopent-3-en-1-yl]cyclopropyl]ethanone?
1-[(1S,2R)-2-[(1R,2S)-2-(methoxymethoxy)-1,3-dimethylcyclopent-3-en-1-yl]cyclopropyl]ethanone has a molecular weight of 238.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-[(1R,2S)-2-(methoxymethoxy)-1,3-dimethylcyclopent-3-en-1-yl]cyclopropyl]ethanone is sourced from PubChem (CID 164674985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).