methyl 2-[(1R,2R,3R)-3-(oxan-2-yloxy)-5-oxo-2-[(E)-prop-1-enyl]cyclopentyl]acetate

C16H24O5 — CID 23262713

IUPACmethyl 2-[(1R,2R,3R)-3-(oxan-2-yloxy)-5-oxo-2-[(E)-prop-1-enyl]cyclopentyl]acetate
SMILESC/C=C/[C@H]1[C@H](OC2CCCCO2)CC(=O)[C@@H]1CC(=O)OC
InChIInChI=1S/C16H24O5/c1-3-6-11-12(9-15(18)19-2)13(17)10-14(11)21-16-7-4-5-8-20-16/h3,6,11-12,14,16H,4-5,7-10H2,1-2H3/b6-3+/t11-,12-,14-,16?/m1/s1
InChIKeyWKMXHZLAAREUSB-NCJLYKBVSA-N
MW296.36 g/mol
LogP2.24
Rot. Bonds5

About methyl 2-[(1R,2R,3R)-3-(oxan-2-yloxy)-5-oxo-2-[(E)-prop-1-enyl]cyclopentyl]acetate

methyl 2-[(1R,2R,3R)-3-(oxan-2-yloxy)-5-oxo-2-[(E)-prop-1-enyl]cyclopentyl]acetate (PubChem CID 23262713) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is methyl 2-[(1R,2R,3R)-3-(oxan-2-yloxy)-5-oxo-2-[(E)-prop-1-enyl]cyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R,2R,3R)-3-(oxan-2-yloxy)-5-oxo-2-[(E)-prop-1-enyl]cyclopentyl]acetate
PubChem CID23262713
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Namemethyl 2-[(1R,2R,3R)-3-(oxan-2-yloxy)-5-oxo-2-[(E)-prop-1-enyl]cyclopentyl]acetate
SMILESC/C=C/[C@H]1[C@H](OC2CCCCO2)CC(=O)[C@@H]1CC(=O)OC
InChIInChI=1S/C16H24O5/c1-3-6-11-12(9-15(18)19-2)13(17)10-14(11)21-16-7-4-5-8-20-16/h3,6,11-12,14,16H,4-5,7-10H2,1-2H3/b6-3+/t11-,12-,14-,16?/m1/s1
InChIKeyWKMXHZLAAREUSB-NCJLYKBVSA-N
XLogP2.24
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[(1R,2R,3R)-3-(oxan-2-yloxy)-5-oxo-2-[(E)-prop-1-enyl]cyclopentyl]acetate with MolForge

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Related Compounds

(Z)-isopropyl 7-((1R,2S,3S,5S)-3-fluoro-2-formyl-5-(tetrahydro-2H-pyran-2-yloxy)cyclopentyl)hept-5-enoate
CID 12073625
ethyl 7-[(5R,7aR)-2-ethoxy-2-(1-fluoropentyl)-6-oxo-3,4,4a,5,7,7a-hexahydrocyclopenta[b]pyran-5-yl]hept-5-enoate
CID 53705655
methyl 7-[(5R,7aR)-2-(1-fluoropentyl)-2-methoxy-6-oxo-3,4,4a,5,7,7a-hexahydrocyclopenta[b]pyran-5-yl]hept-5-enoate
CID 54131609
ethyl 7-[(5R,7aR)-2-ethoxy-2-(1-fluoropentyl)-6-oxo-3,4,4a,5,7,7a-hexahydrocyclopenta[b]pyran-5-yl]hept-6-enoate
CID 57115627
(Z)-9-[(1R,2R,3R)-2-(4,4-difluoro-3-oxooctyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]non-7-enoic acid
CID 67635660
9-[(1R,2R,3R)-2-(4,4-difluoro-3-oxooctyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]non-7-enoic acid
CID 67635661
ethyl (Z)-7-[(4aR,5R,7aR)-2-ethoxy-2-(1-fluoropentyl)-6-oxo-3,4,4a,5,7,7a-hexahydrocyclopenta[b]pyran-5-yl]hept-5-enoate
CID 67870753
ethyl 7-[(4aR,5R,7aR)-2-ethoxy-2-(1-fluoropentyl)-6-oxo-3,4,4a,5,7,7a-hexahydrocyclopenta[b]pyran-5-yl]hept-5-enoate
CID 67870756
methyl (Z)-7-[(4aR,5R,7aR)-2-(1-fluoropentyl)-2-methoxy-6-oxo-3,4,4a,5,7,7a-hexahydrocyclopenta[b]pyran-5-yl]hept-5-enoate
CID 67871552
methyl 7-[(4aR,5R,7aR)-2-(1-fluoropentyl)-2-methoxy-6-oxo-3,4,4a,5,7,7a-hexahydrocyclopenta[b]pyran-5-yl]hept-5-enoate
CID 67871554
ethyl (Z)-7-[(4aR,5R,7aR)-2-ethoxy-2-(1-fluoropentyl)-6-oxo-3,4,4a,5,7,7a-hexahydrocyclopenta[b]pyran-5-yl]hept-6-enoate
CID 70374262
ethyl 7-[(4aR,5R,7aR)-2-ethoxy-2-(1-fluoropentyl)-6-oxo-3,4,4a,5,7,7a-hexahydrocyclopenta[b]pyran-5-yl]hept-6-enoate
CID 70374263

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R,2R,3R)-3-(oxan-2-yloxy)-5-oxo-2-[(E)-prop-1-enyl]cyclopentyl]acetate?
The IUPAC name of methyl 2-[(1R,2R,3R)-3-(oxan-2-yloxy)-5-oxo-2-[(E)-prop-1-enyl]cyclopentyl]acetate (CID 23262713) is methyl 2-[(1R,2R,3R)-3-(oxan-2-yloxy)-5-oxo-2-[(E)-prop-1-enyl]cyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(1R,2R,3R)-3-(oxan-2-yloxy)-5-oxo-2-[(E)-prop-1-enyl]cyclopentyl]acetate?
The canonical SMILES for methyl 2-[(1R,2R,3R)-3-(oxan-2-yloxy)-5-oxo-2-[(E)-prop-1-enyl]cyclopentyl]acetate is C/C=C/[C@H]1[C@H](OC2CCCCO2)CC(=O)[C@@H]1CC(=O)OC.
What is the InChIKey of methyl 2-[(1R,2R,3R)-3-(oxan-2-yloxy)-5-oxo-2-[(E)-prop-1-enyl]cyclopentyl]acetate?
The InChIKey is WKMXHZLAAREUSB-NCJLYKBVSA-N. The full InChI is InChI=1S/C16H24O5/c1-3-6-11-12(9-15(18)19-2)13(17)10-14(11)21-16-7-4-5-8-20-16/h3,6,11-12,14,16H,4-5,7-10H2,1-2H3/b6-3+/t11-,12-,14-,16?/m1/s1.
What are the key properties of methyl 2-[(1R,2R,3R)-3-(oxan-2-yloxy)-5-oxo-2-[(E)-prop-1-enyl]cyclopentyl]acetate?
methyl 2-[(1R,2R,3R)-3-(oxan-2-yloxy)-5-oxo-2-[(E)-prop-1-enyl]cyclopentyl]acetate has a molecular weight of 296.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,2R,3R)-3-(oxan-2-yloxy)-5-oxo-2-[(E)-prop-1-enyl]cyclopentyl]acetate is sourced from PubChem (CID 23262713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).