4-[4-[tert-butyl(diphenyl)silyl]oxybutyl-methylamino]butanoyl chloride

C25H36ClNO2Si — CID 174145246

IUPAC4-[4-[tert-butyl(diphenyl)silyl]oxybutyl-methylamino]butanoyl chloride
SMILESCN(CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCCC(=O)Cl
InChIInChI=1S/C25H36ClNO2Si/c1-25(2,3)30(22-14-7-5-8-15-22,23-16-9-6-10-17-23)29-21-12-11-19-27(4)20-13-18-24(26)28/h5-10,14-17H,11-13,18-21H2,1-4H3
InChIKeyBCRSAKUKOOMPEP-UHFFFAOYSA-N
MW446.11 g/mol
LogP4.82
Rot. Bonds12

About 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl-methylamino]butanoyl chloride

4-[4-[tert-butyl(diphenyl)silyl]oxybutyl-methylamino]butanoyl chloride (PubChem CID 174145246) has the molecular formula C25H36ClNO2Si and a molecular weight of 446.11 g/mol. Its IUPAC name is 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl-methylamino]butanoyl chloride.

Molecular Properties

Compound Name4-[4-[tert-butyl(diphenyl)silyl]oxybutyl-methylamino]butanoyl chloride
PubChem CID174145246
Molecular FormulaC25H36ClNO2Si
Molecular Weight446.11 g/mol
Exact Mass445.22
IUPAC Name4-[4-[tert-butyl(diphenyl)silyl]oxybutyl-methylamino]butanoyl chloride
SMILESCN(CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCCC(=O)Cl
InChIInChI=1S/C25H36ClNO2Si/c1-25(2,3)30(22-14-7-5-8-15-22,23-16-9-6-10-17-23)29-21-12-11-19-27(4)20-13-18-24(26)28/h5-10,14-17H,11-13,18-21H2,1-4H3
InChIKeyBCRSAKUKOOMPEP-UHFFFAOYSA-N
XLogP4.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.11
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[tert-butyl(diphenyl)silyl]oxy-3-[6-[[3-[[tert-butyl(diphenyl)silyl]oxy-methylamino]-3-oxopropyl]-methylamino]hexyl-methylamino]-N-methylpropanamide
CID 11814793
1-[4-[tert-butyl(diphenyl)silyl]oxybutyl-(chloromethyl)amino]butan-2-one
CID 159768408
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
(2E)-2-benzylidene-5-[tert-butyl(diphenyl)silyl]oxypentanal
CID 71605137
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
CID 172860642
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate
CID 10907379

Frequently Asked Questions

What is the IUPAC name of 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl-methylamino]butanoyl chloride?
The IUPAC name of 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl-methylamino]butanoyl chloride (CID 174145246) is 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl-methylamino]butanoyl chloride.
What is the SMILES notation for 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl-methylamino]butanoyl chloride?
The canonical SMILES for 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl-methylamino]butanoyl chloride is CN(CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCCC(=O)Cl.
What is the InChIKey of 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl-methylamino]butanoyl chloride?
The InChIKey is BCRSAKUKOOMPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36ClNO2Si/c1-25(2,3)30(22-14-7-5-8-15-22,23-16-9-6-10-17-23)29-21-12-11-19-27(4)20-13-18-24(26)28/h5-10,14-17H,11-13,18-21H2,1-4H3.
What are the key properties of 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl-methylamino]butanoyl chloride?
4-[4-[tert-butyl(diphenyl)silyl]oxybutyl-methylamino]butanoyl chloride has a molecular weight of 446.11 g/mol, XLogP of 4.82, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl-methylamino]butanoyl chloride is sourced from PubChem (CID 174145246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).