(1R)-1-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopenten-1-yl]-2-(6-iodo-2,3-dimethoxy-4-phenylmethoxyphenyl)ethanol

C34H53IO6Si2 — CID 23631495

IUPAC(1R)-1-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopenten-1-yl]-2-(6-iodo-2,3-dimethoxy-4-phenylmethoxyphenyl)ethanol
SMILESCC[Si](CC)(CC)O[C@H]1C=C([C@H](O)Cc2c(I)cc(OCc3ccccc3)c(OC)c2OC)[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C34H53IO6Si2/c1-11-43(12-2,13-3)40-25-19-27(30(20-25)41-42(9,10)34(4,5)6)29(36)21-26-28(35)22-31(33(38-8)32(26)37-7)39-23-24-17-15-14-16-18-24/h14-19,22,25,29-30,36H,11-13,20-21,23H2,1-10H3/t25-,29+,30-/m0/s1
InChIKeyVOWDISOWCZNZPM-LQJQRVQGSA-N
MW740.87 g/mol
LogP8.90
Rot. Bonds15

About (1R)-1-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopenten-1-yl]-2-(6-iodo-2,3-dimethoxy-4-phenylmethoxyphenyl)ethanol

(1R)-1-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopenten-1-yl]-2-(6-iodo-2,3-dimethoxy-4-phenylmethoxyphenyl)ethanol (PubChem CID 23631495) has the molecular formula C34H53IO6Si2 and a molecular weight of 740.87 g/mol. Its IUPAC name is (1R)-1-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopenten-1-yl]-2-(6-iodo-2,3-dimethoxy-4-phenylmethoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopenten-1-yl]-2-(6-iodo-2,3-dimethoxy-4-phenylmethoxyphenyl)ethanol
PubChem CID23631495
Molecular FormulaC34H53IO6Si2
Molecular Weight740.87 g/mol
Exact Mass740.24
IUPAC Name(1R)-1-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopenten-1-yl]-2-(6-iodo-2,3-dimethoxy-4-phenylmethoxyphenyl)ethanol
SMILESCC[Si](CC)(CC)O[C@H]1C=C([C@H](O)Cc2c(I)cc(OCc3ccccc3)c(OC)c2OC)[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C34H53IO6Si2/c1-11-43(12-2,13-3)40-25-19-27(30(20-25)41-42(9,10)34(4,5)6)29(36)21-26-28(35)22-31(33(38-8)32(26)37-7)39-23-24-17-15-14-16-18-24/h14-19,22,25,29-30,36H,11-13,20-21,23H2,1-10H3/t25-,29+,30-/m0/s1
InChIKeyVOWDISOWCZNZPM-LQJQRVQGSA-N
XLogP8.90
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.87
LogP ≤ 58.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]-2-(6-iodo-2,3-dimethoxy-4-phenylmethoxyphenyl)ethanol
CID 44557675
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1S)-1-chloro-2-(6-iodo-2,3-dimethoxy-4-phenylmethoxyphenyl)ethyl]cyclopent-2-en-1-one
CID 23631496
(5-bromo-4-methoxy-2-phenylmethoxyphenoxy)-tert-butyl-dimethylsilane
CID 59089862
tert-butyl-[(2S)-1-[7-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethoxy-5-phenylmethoxynaphthalen-2-yl]propan-2-yl]oxy-dimethylsilane
CID 154709452
2-bromo-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylmethoxyphenyl]ethanol
CID 76807098
(1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]propane-1,2-diol
CID 71251677
(1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-6-phenylmethoxyphenyl]-1-(3-methoxy-4-phenylmethoxyphenyl)propane-1,2-diol
CID 102101367
1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene
CID 11143485
tert-butyl-[(2R,3R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,6-dimethylphenyl]-4-(4-methoxy-3-phenylmethoxyphenyl)-3-nitrobutan-2-yl]oxy-dimethylsilane
CID 15816553
(R)-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-iodo-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-(4-phenylmethoxyphenyl)methanol
CID 66761634
1-(2-fluoro-6-methoxy-3-phenylmethoxyphenyl)propan-2-ol
CID 117469072
(3R,4S,5S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-bis(phenylmethoxy)cycloheptan-1-ol
CID 101106224

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopenten-1-yl]-2-(6-iodo-2,3-dimethoxy-4-phenylmethoxyphenyl)ethanol?
The IUPAC name of (1R)-1-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopenten-1-yl]-2-(6-iodo-2,3-dimethoxy-4-phenylmethoxyphenyl)ethanol (CID 23631495) is (1R)-1-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopenten-1-yl]-2-(6-iodo-2,3-dimethoxy-4-phenylmethoxyphenyl)ethanol.
What is the SMILES notation for (1R)-1-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopenten-1-yl]-2-(6-iodo-2,3-dimethoxy-4-phenylmethoxyphenyl)ethanol?
The canonical SMILES for (1R)-1-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopenten-1-yl]-2-(6-iodo-2,3-dimethoxy-4-phenylmethoxyphenyl)ethanol is CC[Si](CC)(CC)O[C@H]1C=C([C@H](O)Cc2c(I)cc(OCc3ccccc3)c(OC)c2OC)[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (1R)-1-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopenten-1-yl]-2-(6-iodo-2,3-dimethoxy-4-phenylmethoxyphenyl)ethanol?
The InChIKey is VOWDISOWCZNZPM-LQJQRVQGSA-N. The full InChI is InChI=1S/C34H53IO6Si2/c1-11-43(12-2,13-3)40-25-19-27(30(20-25)41-42(9,10)34(4,5)6)29(36)21-26-28(35)22-31(33(38-8)32(26)37-7)39-23-24-17-15-14-16-18-24/h14-19,22,25,29-30,36H,11-13,20-21,23H2,1-10H3/t25-,29+,30-/m0/s1.
What are the key properties of (1R)-1-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopenten-1-yl]-2-(6-iodo-2,3-dimethoxy-4-phenylmethoxyphenyl)ethanol?
(1R)-1-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopenten-1-yl]-2-(6-iodo-2,3-dimethoxy-4-phenylmethoxyphenyl)ethanol has a molecular weight of 740.87 g/mol, XLogP of 8.90, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxycyclopenten-1-yl]-2-(6-iodo-2,3-dimethoxy-4-phenylmethoxyphenyl)ethanol is sourced from PubChem (CID 23631495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).