hydroxy-[(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]-dimethylsilane;(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol

C46H58O8Si — CID 161428781

IUPAChydroxy-[(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]-dimethylsilane;(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol
SMILESCOc1ccc(COCC2=CC[C@H](O)[C@H]2COCc2ccccc2)cc1.COc1ccc(COCC2=CC[C@H]([Si](C)(C)O)[C@H]2COCc2ccccc2)cc1
InChIInChI=1S/C24H32O4Si.C22H26O4/c1-26-22-12-9-20(10-13-22)16-27-17-21-11-14-24(29(2,3)25)23(21)18-28-15-19-7-5-4-6-8-19;1-24-20-10-7-18(8-11-20)14-25-15-19-9-12-22(23)21(19)16-26-13-17-5-3-2-4-6-17/h4-13,23-25H,14-18H2,1-3H3;2-11,21-23H,12-16H2,1H3/t23-,24-;21-,22-/m00/s1
InChIKeyVXSONUKMXCGLTG-HWXYYLRQSA-N
MW767.05 g/mol
LogP8.68
Rot. Bonds19

About hydroxy-[(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]-dimethylsilane;(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol

hydroxy-[(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]-dimethylsilane;(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol (PubChem CID 161428781) has the molecular formula C46H58O8Si and a molecular weight of 767.05 g/mol. Its IUPAC name is hydroxy-[(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]-dimethylsilane;(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol.

Molecular Properties

Compound Namehydroxy-[(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]-dimethylsilane;(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol
PubChem CID161428781
Molecular FormulaC46H58O8Si
Molecular Weight767.05 g/mol
Exact Mass766.39
IUPAC Namehydroxy-[(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]-dimethylsilane;(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol
SMILESCOc1ccc(COCC2=CC[C@H](O)[C@H]2COCc2ccccc2)cc1.COc1ccc(COCC2=CC[C@H]([Si](C)(C)O)[C@H]2COCc2ccccc2)cc1
InChIInChI=1S/C24H32O4Si.C22H26O4/c1-26-22-12-9-20(10-13-22)16-27-17-21-11-14-24(29(2,3)25)23(21)18-28-15-19-7-5-4-6-8-19;1-24-20-10-7-18(8-11-20)14-25-15-19-9-12-22(23)21(19)16-26-13-17-5-3-2-4-6-17/h4-13,23-25H,14-18H2,1-3H3;2-11,21-23H,12-16H2,1H3/t23-,24-;21-,22-/m00/s1
InChIKeyVXSONUKMXCGLTG-HWXYYLRQSA-N
XLogP8.68
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.05
LogP ≤ 58.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze hydroxy-[(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]-dimethylsilane;(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol with MolForge

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Related Compounds

1-methoxy-4-[[(4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)cyclopenten-1-yl]methoxymethyl]benzene
CID 59434259
(2S,3R,4S,5R,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 171125035
(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane
CID 10887663
(2S,3R,5Z,9S)-2-[(4-methoxyphenyl)methoxymethyl]-9-(phenylmethoxymethyl)-2,3,4,7,8,9-hexahydrooxonin-3-ol
CID 134931156
(2R,3R,4S,5S,6R)-3,4-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxyoxan-2-ol
CID 171123644
(1S,2S,3R,5R)-3-[(4-methoxyphenyl)methoxy]-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 88524591
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(1S,2S,3R,4R,5S,6S)-2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11039611
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
(2R,3S,4S,5R,6S)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-ol
CID 10557933
(1R,3S,4R,6R)-5-[(4-methoxyphenyl)methoxy]-2,4,6-tris(phenylmethoxy)cyclohexane-1,3-diol
CID 11071884
(2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-4-hydroxy-3-[(2R,3S,4S,5R)-3-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]-4-phenylmethoxyoxolan-2-yl]oxy-5-methoxyoxolan-2-yl]methoxy]-5-[(4-methoxyphenyl)methoxymethyl]-4-phenylmethoxyoxolan-3-ol
CID 102415998

Frequently Asked Questions

What is the IUPAC name of hydroxy-[(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]-dimethylsilane;(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol?
The IUPAC name of hydroxy-[(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]-dimethylsilane;(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol (CID 161428781) is hydroxy-[(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]-dimethylsilane;(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol.
What is the SMILES notation for hydroxy-[(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]-dimethylsilane;(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol?
The canonical SMILES for hydroxy-[(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]-dimethylsilane;(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol is COc1ccc(COCC2=CC[C@H](O)[C@H]2COCc2ccccc2)cc1.COc1ccc(COCC2=CC[C@H]([Si](C)(C)O)[C@H]2COCc2ccccc2)cc1.
What is the InChIKey of hydroxy-[(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]-dimethylsilane;(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol?
The InChIKey is VXSONUKMXCGLTG-HWXYYLRQSA-N. The full InChI is InChI=1S/C24H32O4Si.C22H26O4/c1-26-22-12-9-20(10-13-22)16-27-17-21-11-14-24(29(2,3)25)23(21)18-28-15-19-7-5-4-6-8-19;1-24-20-10-7-18(8-11-20)14-25-15-19-9-12-22(23)21(19)16-26-13-17-5-3-2-4-6-17/h4-13,23-25H,14-18H2,1-3H3;2-11,21-23H,12-16H2,1H3/t23-,24-;21-,22-/m00/s1.
What are the key properties of hydroxy-[(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]-dimethylsilane;(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol?
hydroxy-[(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]-dimethylsilane;(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol has a molecular weight of 767.05 g/mol, XLogP of 8.68, 19 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]-dimethylsilane;(1S,2R)-3-[(4-methoxyphenyl)methoxymethyl]-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol is sourced from PubChem (CID 161428781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).