tert-butyl-chloro-diphenylsilane;N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]acetamide;N-(1,3-dihydroxypropan-2-yl)acetamide

C42H59ClN2O6Si2 — CID 162121449

IUPACtert-butyl-chloro-diphenylsilane;N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]acetamide;N-(1,3-dihydroxypropan-2-yl)acetamide
SMILESCC(=O)NC(CO)CO.CC(=O)NC(CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO3Si.C16H19ClSi.C5H11NO3/c1-17(24)22-18(15-23)16-25-26(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20;1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-4(9)6-5(2-7)3-8/h5-14,18,23H,15-16H2,1-4H3,(H,22,24);4-13H,1-3H3;5,7-8H,2-3H2,1H3,(H,6,9)
InChIKeyZHLREWKHOCRMRZ-UHFFFAOYSA-N
MW779.57 g/mol
LogP4.32
Rot. Bonds12

About tert-butyl-chloro-diphenylsilane;N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]acetamide;N-(1,3-dihydroxypropan-2-yl)acetamide

tert-butyl-chloro-diphenylsilane;N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]acetamide;N-(1,3-dihydroxypropan-2-yl)acetamide (PubChem CID 162121449) has the molecular formula C42H59ClN2O6Si2 and a molecular weight of 779.57 g/mol. Its IUPAC name is tert-butyl-chloro-diphenylsilane;N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]acetamide;N-(1,3-dihydroxypropan-2-yl)acetamide.

Molecular Properties

Compound Nametert-butyl-chloro-diphenylsilane;N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]acetamide;N-(1,3-dihydroxypropan-2-yl)acetamide
PubChem CID162121449
Molecular FormulaC42H59ClN2O6Si2
Molecular Weight779.57 g/mol
Exact Mass778.36
IUPAC Nametert-butyl-chloro-diphenylsilane;N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]acetamide;N-(1,3-dihydroxypropan-2-yl)acetamide
SMILESCC(=O)NC(CO)CO.CC(=O)NC(CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO3Si.C16H19ClSi.C5H11NO3/c1-17(24)22-18(15-23)16-25-26(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20;1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-4(9)6-5(2-7)3-8/h5-14,18,23H,15-16H2,1-4H3,(H,22,24);4-13H,1-3H3;5,7-8H,2-3H2,1H3,(H,6,9)
InChIKeyZHLREWKHOCRMRZ-UHFFFAOYSA-N
XLogP4.32
TPSA128.12 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms53
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500779.57
LogP ≤ 54.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-chloro-diphenylsilane;N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]acetamide;N-(1,3-dihydroxypropan-2-yl)acetamide?
The IUPAC name of tert-butyl-chloro-diphenylsilane;N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]acetamide;N-(1,3-dihydroxypropan-2-yl)acetamide (CID 162121449) is tert-butyl-chloro-diphenylsilane;N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]acetamide;N-(1,3-dihydroxypropan-2-yl)acetamide.
What is the SMILES notation for tert-butyl-chloro-diphenylsilane;N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]acetamide;N-(1,3-dihydroxypropan-2-yl)acetamide?
The canonical SMILES for tert-butyl-chloro-diphenylsilane;N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]acetamide;N-(1,3-dihydroxypropan-2-yl)acetamide is CC(=O)NC(CO)CO.CC(=O)NC(CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-chloro-diphenylsilane;N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]acetamide;N-(1,3-dihydroxypropan-2-yl)acetamide?
The InChIKey is ZHLREWKHOCRMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3Si.C16H19ClSi.C5H11NO3/c1-17(24)22-18(15-23)16-25-26(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20;1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-4(9)6-5(2-7)3-8/h5-14,18,23H,15-16H2,1-4H3,(H,22,24);4-13H,1-3H3;5,7-8H,2-3H2,1H3,(H,6,9).
What are the key properties of tert-butyl-chloro-diphenylsilane;N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]acetamide;N-(1,3-dihydroxypropan-2-yl)acetamide?
tert-butyl-chloro-diphenylsilane;N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]acetamide;N-(1,3-dihydroxypropan-2-yl)acetamide has a molecular weight of 779.57 g/mol, XLogP of 4.32, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-chloro-diphenylsilane;N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]acetamide;N-(1,3-dihydroxypropan-2-yl)acetamide is sourced from PubChem (CID 162121449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).