(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethyl-5-phenylmethoxypent-1-en-3-ol

C37H54O4Si2 — CID 102195848

IUPAC(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethyl-5-phenylmethoxypent-1-en-3-ol
SMILESC=C(C)C(C)(O)[C@](COCc1ccccc1)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C37H54O4Si2/c1-30(2)36(9,38)37(41-42(10,11)34(3,4)5,28-39-27-31-21-15-12-16-22-31)29-40-43(35(6,7)8,32-23-17-13-18-24-32)33-25-19-14-20-26-33/h12-26,38H,1,27-29H2,2-11H3/t36?,37-/m0/s1
InChIKeySMCQNTDMWXNOMM-RWXFGYRSSA-N
MW619.01 g/mol
LogP7.87
Rot. Bonds13

About (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethyl-5-phenylmethoxypent-1-en-3-ol

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethyl-5-phenylmethoxypent-1-en-3-ol (PubChem CID 102195848) has the molecular formula C37H54O4Si2 and a molecular weight of 619.01 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethyl-5-phenylmethoxypent-1-en-3-ol.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethyl-5-phenylmethoxypent-1-en-3-ol
PubChem CID102195848
Molecular FormulaC37H54O4Si2
Molecular Weight619.01 g/mol
Exact Mass618.36
IUPAC Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethyl-5-phenylmethoxypent-1-en-3-ol
SMILESC=C(C)C(C)(O)[C@](COCc1ccccc1)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C37H54O4Si2/c1-30(2)36(9,38)37(41-42(10,11)34(3,4)5,28-39-27-31-21-15-12-16-22-31)29-40-43(35(6,7)8,32-23-17-13-18-24-32)33-25-19-14-20-26-33/h12-26,38H,1,27-29H2,2-11H3/t36?,37-/m0/s1
InChIKeySMCQNTDMWXNOMM-RWXFGYRSSA-N
XLogP7.87
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.01
LogP ≤ 57.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(methoxymethoxy)-3-methylpent-1-en-3-ol
CID 102195851
tert-butyl-(3-fluoro-2,3-dimethyl-4-phenylmethoxybutan-2-yl)oxy-dimethylsilane
CID 10831054
3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol
CID 125483258
tert-butyl-(2-chloroprop-2-enoxy)-diphenylsilane
CID 138969032
1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
CID 11762130
(2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol
CID 11784542
(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol
CID 140879334
(2R)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 11344600
(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 101086068
tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
CID 135028969
tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane
CID 134833176
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal
CID 11201317

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethyl-5-phenylmethoxypent-1-en-3-ol?
The IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethyl-5-phenylmethoxypent-1-en-3-ol (CID 102195848) is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethyl-5-phenylmethoxypent-1-en-3-ol.
What is the SMILES notation for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethyl-5-phenylmethoxypent-1-en-3-ol?
The canonical SMILES for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethyl-5-phenylmethoxypent-1-en-3-ol is C=C(C)C(C)(O)[C@](COCc1ccccc1)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethyl-5-phenylmethoxypent-1-en-3-ol?
The InChIKey is SMCQNTDMWXNOMM-RWXFGYRSSA-N. The full InChI is InChI=1S/C37H54O4Si2/c1-30(2)36(9,38)37(41-42(10,11)34(3,4)5,28-39-27-31-21-15-12-16-22-31)29-40-43(35(6,7)8,32-23-17-13-18-24-32)33-25-19-14-20-26-33/h12-26,38H,1,27-29H2,2-11H3/t36?,37-/m0/s1.
What are the key properties of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethyl-5-phenylmethoxypent-1-en-3-ol?
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethyl-5-phenylmethoxypent-1-en-3-ol has a molecular weight of 619.01 g/mol, XLogP of 7.87, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethyl-5-phenylmethoxypent-1-en-3-ol is sourced from PubChem (CID 102195848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).