(3R)-5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-methylpentan-2-one

C30H38O4Si — CID 11179358

IUPAC(3R)-5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-methylpentan-2-one
SMILESCOc1ccc(CO[C@](C)(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(C)=O)cc1
InChIInChI=1S/C30H38O4Si/c1-24(31)30(5,33-23-25-17-19-26(32-6)20-18-25)21-22-34-35(29(2,3)4,27-13-9-7-10-14-27)28-15-11-8-12-16-28/h7-20H,21-23H2,1-6H3/t30-/m1/s1
InChIKeyJJDSXNGGMAKLCQ-SSEXGKCCSA-N
MW490.72 g/mol
LogP5.53
Rot. Bonds11

About (3R)-5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-methylpentan-2-one

(3R)-5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-methylpentan-2-one (PubChem CID 11179358) has the molecular formula C30H38O4Si and a molecular weight of 490.72 g/mol. Its IUPAC name is (3R)-5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-methylpentan-2-one.

Molecular Properties

Compound Name(3R)-5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-methylpentan-2-one
PubChem CID11179358
Molecular FormulaC30H38O4Si
Molecular Weight490.72 g/mol
Exact Mass490.25
IUPAC Name(3R)-5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-methylpentan-2-one
SMILESCOc1ccc(CO[C@](C)(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(C)=O)cc1
InChIInChI=1S/C30H38O4Si/c1-24(31)30(5,33-23-25-17-19-26(32-6)20-18-25)21-22-34-35(29(2,3)4,27-13-9-7-10-14-27)28-15-11-8-12-16-28/h7-20H,21-23H2,1-6H3/t30-/m1/s1
InChIKeyJJDSXNGGMAKLCQ-SSEXGKCCSA-N
XLogP5.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.72
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]-2-methylpent-3-enoic acid
CID 102263688
(3S,4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyhexan-2-one
CID 11753665
5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]pentanal
CID 75162787
(4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(4-methoxyphenyl)methoxymethoxy]-2-methylpent-1-en-3-one
CID 11734175
6-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxyphenyl)-5,5-dimethylhexan-3-one
CID 150353604
4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 23254557
(Z,4S,7R)-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxy]non-5-en-2-one
CID 71726038
[(3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxy]-5,6-dimethyloxan-3-yl] acetate;iodomethane
CID 91531895
tert-butyl (2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxymethoxy]-2-methylbutanoate
CID 100990270
methyl (1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(4-methoxyphenyl)methoxy]cyclopent-3-ene-1-carboxylate
CID 102211154
methyl (1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(4-methoxyphenyl)methoxy]-2-methylcyclohex-3-ene-1-carboxylate
CID 102211158
2-[(1R,2S,5R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-[(4-methoxyphenyl)methoxy]cyclopent-3-en-1-yl]acetaldehyde
CID 101412798

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-methylpentan-2-one?
The IUPAC name of (3R)-5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-methylpentan-2-one (CID 11179358) is (3R)-5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-methylpentan-2-one.
What is the SMILES notation for (3R)-5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-methylpentan-2-one?
The canonical SMILES for (3R)-5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-methylpentan-2-one is COc1ccc(CO[C@](C)(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(C)=O)cc1.
What is the InChIKey of (3R)-5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-methylpentan-2-one?
The InChIKey is JJDSXNGGMAKLCQ-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H38O4Si/c1-24(31)30(5,33-23-25-17-19-26(32-6)20-18-25)21-22-34-35(29(2,3)4,27-13-9-7-10-14-27)28-15-11-8-12-16-28/h7-20H,21-23H2,1-6H3/t30-/m1/s1.
What are the key properties of (3R)-5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-methylpentan-2-one?
(3R)-5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-methylpentan-2-one has a molecular weight of 490.72 g/mol, XLogP of 5.53, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-methylpentan-2-one is sourced from PubChem (CID 11179358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).