(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-phenylmethoxyhexan-2-amine

C34H47NO4Si — CID 102069591

IUPAC(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-phenylmethoxyhexan-2-amine
SMILESCCCC[C@](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(NOCc1ccccc1)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C34H47NO4Si/c1-7-8-24-34(31-26-36-33(5,6)39-31,35-37-25-28-18-12-9-13-19-28)27-38-40(32(2,3)4,29-20-14-10-15-21-29)30-22-16-11-17-23-30/h9-23,31,35H,7-8,24-27H2,1-6H3/t31-,34+/m0/s1
InChIKeyLBEFVGSZPWJGEK-AFPLUKJUSA-N
MW561.84 g/mol
LogP6.36
Rot. Bonds13

About (2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-phenylmethoxyhexan-2-amine

(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-phenylmethoxyhexan-2-amine (PubChem CID 102069591) has the molecular formula C34H47NO4Si and a molecular weight of 561.84 g/mol. Its IUPAC name is (2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-phenylmethoxyhexan-2-amine.

Molecular Properties

Compound Name(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-phenylmethoxyhexan-2-amine
PubChem CID102069591
Molecular FormulaC34H47NO4Si
Molecular Weight561.84 g/mol
Exact Mass561.33
IUPAC Name(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-phenylmethoxyhexan-2-amine
SMILESCCCC[C@](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(NOCc1ccccc1)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C34H47NO4Si/c1-7-8-24-34(31-26-36-33(5,6)39-31,35-37-25-28-18-12-9-13-19-28)27-38-40(32(2,3)4,29-20-14-10-15-21-29)30-22-16-11-17-23-30/h9-23,31,35H,7-8,24-27H2,1-6H3/t31-,34+/m0/s1
InChIKeyLBEFVGSZPWJGEK-AFPLUKJUSA-N
XLogP6.36
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.84
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2-methylpentoxy]-diphenylsilane
CID 141485300
benzyl N-[N'-[(4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-5-yl]-N-phenylmethoxycarbamimidoyl]carbamate
CID 10699736
tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-4-prop-2-enoxypentoxy]-diphenylsilane
CID 165163184
1-benzyl-3-[(4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-5-yl]thiourea
CID 10626460
tert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane
CID 57041576
tert-butyl-[(Z)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylpent-4-enoxy]-diphenylsilane
CID 23242491
(2R)-2-methyl-2-(phenylmethoxyamino)hexanoic acid
CID 142647385
(1S)-7-[tert-butyl(diphenyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-yn-1-ol
CID 11155554
(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(phenylmethoxyamino)-3-propyloxolan-2-one
CID 11249365
tert-butyl-[2-[(4S,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 11214535
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
tert-butyl-diphenyl-[[(1S,4R,7R)-7-phenylmethoxy-2-oxabicyclo[2.2.1]hept-5-en-1-yl]methoxy]silane
CID 59638511

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-phenylmethoxyhexan-2-amine?
The IUPAC name of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-phenylmethoxyhexan-2-amine (CID 102069591) is (2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-phenylmethoxyhexan-2-amine.
What is the SMILES notation for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-phenylmethoxyhexan-2-amine?
The canonical SMILES for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-phenylmethoxyhexan-2-amine is CCCC[C@](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(NOCc1ccccc1)[C@@H]1COC(C)(C)O1.
What is the InChIKey of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-phenylmethoxyhexan-2-amine?
The InChIKey is LBEFVGSZPWJGEK-AFPLUKJUSA-N. The full InChI is InChI=1S/C34H47NO4Si/c1-7-8-24-34(31-26-36-33(5,6)39-31,35-37-25-28-18-12-9-13-19-28)27-38-40(32(2,3)4,29-20-14-10-15-21-29)30-22-16-11-17-23-30/h9-23,31,35H,7-8,24-27H2,1-6H3/t31-,34+/m0/s1.
What are the key properties of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-phenylmethoxyhexan-2-amine?
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-phenylmethoxyhexan-2-amine has a molecular weight of 561.84 g/mol, XLogP of 6.36, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-phenylmethoxyhexan-2-amine is sourced from PubChem (CID 102069591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).