(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N,N-diethylpent-4-enamide

C34H55NO3Si2 — CID 11273241

IUPAC(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N,N-diethylpent-4-enamide
SMILESC=C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N(CC)CC
InChIInChI=1S/C34H55NO3Si2/c1-12-28(27-38-39(10,11)33(4,5)6)31(32(36)35(13-2)14-3)25-26-37-40(34(7,8)9,29-21-17-15-18-22-29)30-23-19-16-20-24-30/h12,15-24,28,31H,1,13-14,25-27H2,2-11H3/t28-,31+/m0/s1
InChIKeyMUFNVUIOCSGABT-QCENPCRXSA-N
MW581.99 g/mol
LogP7.26
Rot. Bonds14

About (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N,N-diethylpent-4-enamide

(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N,N-diethylpent-4-enamide (PubChem CID 11273241) has the molecular formula C34H55NO3Si2 and a molecular weight of 581.99 g/mol. Its IUPAC name is (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N,N-diethylpent-4-enamide.

Molecular Properties

Compound Name(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N,N-diethylpent-4-enamide
PubChem CID11273241
Molecular FormulaC34H55NO3Si2
Molecular Weight581.99 g/mol
Exact Mass581.37
IUPAC Name(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N,N-diethylpent-4-enamide
SMILESC=C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N(CC)CC
InChIInChI=1S/C34H55NO3Si2/c1-12-28(27-38-39(10,11)33(4,5)6)31(32(36)35(13-2)14-3)25-26-37-40(34(7,8)9,29-21-17-15-18-22-29)30-23-19-16-20-24-30/h12,15-24,28,31H,1,13-14,25-27H2,2-11H3/t28-,31+/m0/s1
InChIKeyMUFNVUIOCSGABT-QCENPCRXSA-N
XLogP7.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.99
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(6R,7R)-9-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-2,2,7-trimethyl-4-oxononanal
CID 10648349
(3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol
CID 174143208
4-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 11420340
(3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol
CID 10788581
methyl (2S,3R,4E,6E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-8,8-dimethylnona-4,6-dienoate
CID 11017592
4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-ethenylocta-1,7-dien-3-ol
CID 101058434
tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane
CID 160977016
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol
CID 168962199
[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylpent-4-enyl] methanesulfonate
CID 145359387
prop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate
CID 58842048
tert-butyl N-but-3-enyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate
CID 71489209

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N,N-diethylpent-4-enamide?
The IUPAC name of (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N,N-diethylpent-4-enamide (CID 11273241) is (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N,N-diethylpent-4-enamide.
What is the SMILES notation for (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N,N-diethylpent-4-enamide?
The canonical SMILES for (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N,N-diethylpent-4-enamide is C=C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N(CC)CC.
What is the InChIKey of (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N,N-diethylpent-4-enamide?
The InChIKey is MUFNVUIOCSGABT-QCENPCRXSA-N. The full InChI is InChI=1S/C34H55NO3Si2/c1-12-28(27-38-39(10,11)33(4,5)6)31(32(36)35(13-2)14-3)25-26-37-40(34(7,8)9,29-21-17-15-18-22-29)30-23-19-16-20-24-30/h12,15-24,28,31H,1,13-14,25-27H2,2-11H3/t28-,31+/m0/s1.
What are the key properties of (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N,N-diethylpent-4-enamide?
(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N,N-diethylpent-4-enamide has a molecular weight of 581.99 g/mol, XLogP of 7.26, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N,N-diethylpent-4-enamide is sourced from PubChem (CID 11273241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).