methyl (Z)-6-[(1R,2S,5S)-2-(hydroxymethyl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-4-enoate

C26H32O4 — CID 67726586

IUPACmethyl (Z)-6-[(1R,2S,5S)-2-(hydroxymethyl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-4-enoate
SMILESCOC(=O)CC/C=C\C[C@@H]1[C@@H](CO)CC[C@@H]1OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H32O4/c1-29-26(28)11-7-3-6-10-24-23(18-27)16-17-25(24)30-19-20-12-14-22(15-13-20)21-8-4-2-5-9-21/h2-6,8-9,12-15,23-25,27H,7,10-11,16-19H2,1H3/b6-3-/t23-,24-,25+/m1/s1
InChIKeyRVMVYRUZXKDYPY-MJQQETPHSA-N
MW408.54 g/mol
LogP5.16
Rot. Bonds10

About methyl (Z)-6-[(1R,2S,5S)-2-(hydroxymethyl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-4-enoate

methyl (Z)-6-[(1R,2S,5S)-2-(hydroxymethyl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-4-enoate (PubChem CID 67726586) has the molecular formula C26H32O4 and a molecular weight of 408.54 g/mol. Its IUPAC name is methyl (Z)-6-[(1R,2S,5S)-2-(hydroxymethyl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-4-enoate.

Molecular Properties

Compound Namemethyl (Z)-6-[(1R,2S,5S)-2-(hydroxymethyl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-4-enoate
PubChem CID67726586
Molecular FormulaC26H32O4
Molecular Weight408.54 g/mol
Exact Mass408.23
IUPAC Namemethyl (Z)-6-[(1R,2S,5S)-2-(hydroxymethyl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-4-enoate
SMILESCOC(=O)CC/C=C\C[C@@H]1[C@@H](CO)CC[C@@H]1OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H32O4/c1-29-26(28)11-7-3-6-10-24-23(18-27)16-17-25(24)30-19-20-12-14-22(15-13-20)21-8-4-2-5-9-21/h2-6,8-9,12-15,23-25,27H,7,10-11,16-19H2,1H3/b6-3-/t23-,24-,25+/m1/s1
InChIKeyRVMVYRUZXKDYPY-MJQQETPHSA-N
XLogP5.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (Z)-6-[(1R,2S,5S)-2-(hydroxymethyl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-4-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (Z)-6-[(1R,2R,5S)-2-fluoro-5-(hydroxymethyl)cyclopentyl]hex-4-enoate
CID 67796956
[(1R,2R,3R,4S)-3-(7-methoxy-7-oxohept-2-enyl)-2-[(4-methylphenyl)sulfonylamino]-4-[(4-phenylphenyl)methoxy]cyclopentyl] benzoate
CID 57306408
benzhydryl (Z)-7-[(1S,2R,5R)-2-[(4-phenylphenyl)methoxy]-5-piperidin-1-ylcyclopentyl]hept-4-enoate
CID 70469584
(Z)-7-[(1R,2S,5S)-2-morpholin-4-yl-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid
CID 70374533
methyl (Z)-7-[(1R,2R,3R,4S)-3-[(4-phenylbenzoyl)amino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoate
CID 58697860
methyl (Z)-6-[(1R,2S,5R)-2-(benzenesulfonamidomethyl)-5-fluorocyclopentyl]hex-4-enoate
CID 67916513
7-[(1R,2R,3R,5S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoic acid
CID 57037315
methyl 7-[(1R,2R,3R,5S)-3-hydroxy-2-morpholin-4-yl-5-[[4-(2-phenylethyl)phenyl]methoxy]cyclopentyl]hept-5-enoate
CID 54220789
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363
(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[(4-phenylphenyl)methoxy]-2-thiomorpholin-4-ylcyclopentyl]hept-5-enoic acid
CID 70533285
methyl (E)-8-phenyloct-4-enoate
CID 167272629
acetyloxymethyl (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoate
CID 13150680

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-6-[(1R,2S,5S)-2-(hydroxymethyl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-4-enoate?
The IUPAC name of methyl (Z)-6-[(1R,2S,5S)-2-(hydroxymethyl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-4-enoate (CID 67726586) is methyl (Z)-6-[(1R,2S,5S)-2-(hydroxymethyl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-4-enoate.
What is the SMILES notation for methyl (Z)-6-[(1R,2S,5S)-2-(hydroxymethyl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-4-enoate?
The canonical SMILES for methyl (Z)-6-[(1R,2S,5S)-2-(hydroxymethyl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-4-enoate is COC(=O)CC/C=C\C[C@@H]1[C@@H](CO)CC[C@@H]1OCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl (Z)-6-[(1R,2S,5S)-2-(hydroxymethyl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-4-enoate?
The InChIKey is RVMVYRUZXKDYPY-MJQQETPHSA-N. The full InChI is InChI=1S/C26H32O4/c1-29-26(28)11-7-3-6-10-24-23(18-27)16-17-25(24)30-19-20-12-14-22(15-13-20)21-8-4-2-5-9-21/h2-6,8-9,12-15,23-25,27H,7,10-11,16-19H2,1H3/b6-3-/t23-,24-,25+/m1/s1.
What are the key properties of methyl (Z)-6-[(1R,2S,5S)-2-(hydroxymethyl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-4-enoate?
methyl (Z)-6-[(1R,2S,5S)-2-(hydroxymethyl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-4-enoate has a molecular weight of 408.54 g/mol, XLogP of 5.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-6-[(1R,2S,5S)-2-(hydroxymethyl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-4-enoate is sourced from PubChem (CID 67726586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).