tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-4-prop-2-enoxypentoxy]-diphenylsilane

C30H44O4Si — CID 165163184

IUPACtert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-4-prop-2-enoxypentoxy]-diphenylsilane
SMILESC=CCO[C@](C)(C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C30H44O4Si/c1-9-20-31-30(8,27-23-32-29(6,7)34-27)21-24(2)22-33-35(28(3,4)5,25-16-12-10-13-17-25)26-18-14-11-15-19-26/h9-19,24,27H,1,20-23H2,2-8H3/t24-,27-,30-/m1/s1
InChIKeyWCPJWLDWCULMSH-UCVANPEUSA-N
MW496.76 g/mol
LogP5.70
Rot. Bonds11

About tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-4-prop-2-enoxypentoxy]-diphenylsilane

tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-4-prop-2-enoxypentoxy]-diphenylsilane (PubChem CID 165163184) has the molecular formula C30H44O4Si and a molecular weight of 496.76 g/mol. Its IUPAC name is tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-4-prop-2-enoxypentoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-4-prop-2-enoxypentoxy]-diphenylsilane
PubChem CID165163184
Molecular FormulaC30H44O4Si
Molecular Weight496.76 g/mol
Exact Mass496.30
IUPAC Nametert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-4-prop-2-enoxypentoxy]-diphenylsilane
SMILESC=CCO[C@](C)(C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C30H44O4Si/c1-9-20-31-30(8,27-23-32-29(6,7)34-27)21-24(2)22-33-35(28(3,4)5,25-16-12-10-13-17-25)26-18-14-11-15-19-26/h9-19,24,27H,1,20-23H2,2-8H3/t24-,27-,30-/m1/s1
InChIKeyWCPJWLDWCULMSH-UCVANPEUSA-N
XLogP5.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.76
LogP ≤ 55.70
H-Bond Donors ≤ 50
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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Launch Full Analysis

Related Compounds

tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2-methylpentoxy]-diphenylsilane
CID 141485300
(4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-6-methylhept-1-en-4-ol
CID 132510490
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal
CID 11574459
4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile
CID 78163046
tert-butyl-[(Z)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylpent-4-enoxy]-diphenylsilane
CID 23242491
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-phenylmethoxyhexan-2-amine
CID 102069591
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-5-[(1S)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 23242980
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
tert-butyl-[(E,2R)-2,4-dimethyl-8-[(2S)-oxiran-2-yl]oct-4-enoxy]-diphenylsilane
CID 135079027
tert-butyl-diphenyl-[(2S)-2-[(2R,3S)-3-[(1R)-1-trimethylsilyloxybut-3-enyl]oxiran-2-yl]propoxy]silane
CID 177480214

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-4-prop-2-enoxypentoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-4-prop-2-enoxypentoxy]-diphenylsilane (CID 165163184) is tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-4-prop-2-enoxypentoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-4-prop-2-enoxypentoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-4-prop-2-enoxypentoxy]-diphenylsilane is C=CCO[C@](C)(C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1COC(C)(C)O1.
What is the InChIKey of tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-4-prop-2-enoxypentoxy]-diphenylsilane?
The InChIKey is WCPJWLDWCULMSH-UCVANPEUSA-N. The full InChI is InChI=1S/C30H44O4Si/c1-9-20-31-30(8,27-23-32-29(6,7)34-27)21-24(2)22-33-35(28(3,4)5,25-16-12-10-13-17-25)26-18-14-11-15-19-26/h9-19,24,27H,1,20-23H2,2-8H3/t24-,27-,30-/m1/s1.
What are the key properties of tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-4-prop-2-enoxypentoxy]-diphenylsilane?
tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-4-prop-2-enoxypentoxy]-diphenylsilane has a molecular weight of 496.76 g/mol, XLogP of 5.70, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-4-prop-2-enoxypentoxy]-diphenylsilane is sourced from PubChem (CID 165163184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).