(4-methoxyphenyl)methyl (5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyhexanoate

C30H38O5Si — CID 10767902

IUPAC(4-methoxyphenyl)methyl (5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyhexanoate
SMILESCOc1ccc(COC(=O)CCC[C@@H](O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C30H38O5Si/c1-30(2,3)36(27-13-7-5-8-14-27,28-15-9-6-10-16-28)35-23-25(31)12-11-17-29(32)34-22-24-18-20-26(33-4)21-19-24/h5-10,13-16,18-21,25,31H,11-12,17,22-23H2,1-4H3/t25-/m1/s1
InChIKeyZVYXHHKRAHRLGN-RUZDIDTESA-N
MW506.72 g/mol
LogP4.85
Rot. Bonds12

About (4-methoxyphenyl)methyl (5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyhexanoate

(4-methoxyphenyl)methyl (5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyhexanoate (PubChem CID 10767902) has the molecular formula C30H38O5Si and a molecular weight of 506.72 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl (5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyhexanoate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl (5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyhexanoate
PubChem CID10767902
Molecular FormulaC30H38O5Si
Molecular Weight506.72 g/mol
Exact Mass506.25
IUPAC Name(4-methoxyphenyl)methyl (5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyhexanoate
SMILESCOc1ccc(COC(=O)CCC[C@@H](O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C30H38O5Si/c1-30(2,3)36(27-13-7-5-8-14-27,28-15-9-6-10-16-28)35-23-25(31)12-11-17-29(32)34-22-24-18-20-26(33-4)21-19-24/h5-10,13-16,18-21,25,31H,11-12,17,22-23H2,1-4H3/t25-/m1/s1
InChIKeyZVYXHHKRAHRLGN-RUZDIDTESA-N
XLogP4.85
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.72
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Verimol B
CID 45360335
Verimol A
CID 45360336
3-{4-[(4-Phenoxybenzyl)oxy]phenyl}propanoic Acid
CID 51349861
trans-(2S,4S)-3-[(4-methoxyphenyl)methoxycarbonyl]-2,4-diphenylcyclobutane-1-carboxylic acid
CID 130428255
rac-2-(4-Phenoxymethyl-phenoxy)-3-phenyl-propanoic Acid
CID 44481226
3-[(2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl]-4-hydroxy-6-(4-methoxyphenyl)pyran-2-one
CID 155555927
(+/-)-3-(4-[(4-Methoxyphenyl)methoxy]phenyl)-propanoic acid
CID 57395404
3-[4-[(4-Methoxyphenyl)methoxy]phenyl]-4-methylpent-3-enoic acid
CID 57391958
[(2S,4E,6S,7R)-7-hydroxy-2-[(E)-4-[(4-methoxyphenyl)methoxy]but-2-en-2-yl]-7-methyl-12-oxo-1-oxacyclododec-4-en-6-yl] acetate
CID 90666873
alpha-(Phenoxy)-alpha-[p-(phenoxy)phenyl]acetic Acid
CID 12531884
2-Hydroxy-3-[(4-methoxybenzoyl)oxy]propyl 4-methoxybenzoate
CID 1822502
2-Hydroxy-2-phenylacetic acid, p-methoxybenzyl ester
CID 578112

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl (5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyhexanoate?
The IUPAC name of (4-methoxyphenyl)methyl (5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyhexanoate (CID 10767902) is (4-methoxyphenyl)methyl (5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyhexanoate.
What is the SMILES notation for (4-methoxyphenyl)methyl (5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyhexanoate?
The canonical SMILES for (4-methoxyphenyl)methyl (5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyhexanoate is COc1ccc(COC(=O)CCC[C@@H](O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl (5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyhexanoate?
The InChIKey is ZVYXHHKRAHRLGN-RUZDIDTESA-N. The full InChI is InChI=1S/C30H38O5Si/c1-30(2,3)36(27-13-7-5-8-14-27,28-15-9-6-10-16-28)35-23-25(31)12-11-17-29(32)34-22-24-18-20-26(33-4)21-19-24/h5-10,13-16,18-21,25,31H,11-12,17,22-23H2,1-4H3/t25-/m1/s1.
What are the key properties of (4-methoxyphenyl)methyl (5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyhexanoate?
(4-methoxyphenyl)methyl (5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyhexanoate has a molecular weight of 506.72 g/mol, XLogP of 4.85, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl (5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyhexanoate is sourced from PubChem (CID 10767902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).