[(2R,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl]methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate

C19H28O5 — CID 139583260

IUPAC[(2R,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl]methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
SMILESCC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)OC[C@H]1[C@H](C)C(=O)O[C@@H]1C
InChIInChI=1S/C19H28O5/c1-4-5-6-7-15-14(8-9-17(15)20)10-18(21)23-11-16-12(2)19(22)24-13(16)3/h5-6,12-16H,4,7-11H2,1-3H3/b6-5-/t12-,13+,14+,15+,16-/m0/s1
InChIKeyXUDSPOIZGCSHJD-MVALDTSZSA-N
MW336.43 g/mol
LogP3.07
Rot. Bonds7

About [(2R,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl]methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate

[(2R,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl]methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate (PubChem CID 139583260) has the molecular formula C19H28O5 and a molecular weight of 336.43 g/mol. Its IUPAC name is [(2R,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl]methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate.

Molecular Properties

Compound Name[(2R,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl]methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
PubChem CID139583260
Molecular FormulaC19H28O5
Molecular Weight336.43 g/mol
Exact Mass336.19
IUPAC Name[(2R,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl]methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
SMILESCC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)OC[C@H]1[C@H](C)C(=O)O[C@@H]1C
InChIInChI=1S/C19H28O5/c1-4-5-6-7-15-14(8-9-17(15)20)10-18(21)23-11-16-12(2)19(22)24-13(16)3/h5-6,12-16H,4,7-11H2,1-3H3/b6-5-/t12-,13+,14+,15+,16-/m0/s1
InChIKeyXUDSPOIZGCSHJD-MVALDTSZSA-N
XLogP3.07
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2R,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl]methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S,2R)-3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S)-3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate
CID 157434291
methyl 2-[(1S)-3-oxo-2-pent-2-enylcyclopentyl]acetate
CID 91500588
2-[(1R,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid
CID 7067458
2-[(1R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
CID 25245751
2-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide
CID 174803900
2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide
CID 5365335
2-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid;hydrochloride
CID 175288857
[2-(2-oxo-5-pent-2-enylcyclopentyl)acetyl] 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate
CID 73407000
3-(aminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one
CID 139527322
methyl 2-[2-(2,3-dibromopentyl)-3-oxocyclopentyl]acetate;methyl 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 158002521
3-(2-hydroxy-2-methoxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one
CID 155337012
methyl (2S)-3-methyl-2-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]butanoate
CID 14455498

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl]methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate?
The IUPAC name of [(2R,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl]methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate (CID 139583260) is [(2R,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl]methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate.
What is the SMILES notation for [(2R,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl]methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate?
The canonical SMILES for [(2R,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl]methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate is CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)OC[C@H]1[C@H](C)C(=O)O[C@@H]1C.
What is the InChIKey of [(2R,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl]methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate?
The InChIKey is XUDSPOIZGCSHJD-MVALDTSZSA-N. The full InChI is InChI=1S/C19H28O5/c1-4-5-6-7-15-14(8-9-17(15)20)10-18(21)23-11-16-12(2)19(22)24-13(16)3/h5-6,12-16H,4,7-11H2,1-3H3/b6-5-/t12-,13+,14+,15+,16-/m0/s1.
What are the key properties of [(2R,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl]methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate?
[(2R,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl]methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate has a molecular weight of 336.43 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl]methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate is sourced from PubChem (CID 139583260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).