methyl 6-(dibenzylamino)-6-triethylsilylhexanoate

C27H41NO2Si — CID 164684180

IUPACmethyl 6-(dibenzylamino)-6-triethylsilylhexanoate
SMILESCC[Si](CC)(CC)C(CCCCC(=O)OC)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H41NO2Si/c1-5-31(6-2,7-3)26(20-14-15-21-27(29)30-4)28(22-24-16-10-8-11-17-24)23-25-18-12-9-13-19-25/h8-13,16-19,26H,5-7,14-15,20-23H2,1-4H3
InChIKeyXFAQYMQXPOIVTO-UHFFFAOYSA-N
MW439.72 g/mol
LogP6.84
Rot. Bonds14

About methyl 6-(dibenzylamino)-6-triethylsilylhexanoate

methyl 6-(dibenzylamino)-6-triethylsilylhexanoate (PubChem CID 164684180) has the molecular formula C27H41NO2Si and a molecular weight of 439.72 g/mol. Its IUPAC name is methyl 6-(dibenzylamino)-6-triethylsilylhexanoate.

Molecular Properties

Compound Namemethyl 6-(dibenzylamino)-6-triethylsilylhexanoate
PubChem CID164684180
Molecular FormulaC27H41NO2Si
Molecular Weight439.72 g/mol
Exact Mass439.29
IUPAC Namemethyl 6-(dibenzylamino)-6-triethylsilylhexanoate
SMILESCC[Si](CC)(CC)C(CCCCC(=O)OC)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H41NO2Si/c1-5-31(6-2,7-3)26(20-14-15-21-27(29)30-4)28(22-24-16-10-8-11-17-24)23-25-18-12-9-13-19-25/h8-13,16-19,26H,5-7,14-15,20-23H2,1-4H3
InChIKeyXFAQYMQXPOIVTO-UHFFFAOYSA-N
XLogP6.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.72
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-benzylundecanoate
CID 58960739
methyl 10-amino-11-phenylundecanoate;hydrochloride
CID 141254127
methyl 8-hydroxy-8-phenyloctanoate
CID 139616789
(5-methoxy-5-oxopentyl)-triphenylphosphanium
CID 3630851
methyl 8-phenylmethoxyoctanoate
CID 562206
methyl 8-methoxy-8-phenyloctanoate
CID 170851952
3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoic acid
CID 70081456
(15-methoxy-15-oxopentadecyl)-triphenylphosphanium
CID 10508386
methyl 7-amino-7-phenylheptanoate
CID 139616773
N-benzyl-N-methyl-5-phenyl-1-triethylsilylpentan-1-amine
CID 164683846
1-O-ethyl 4-O-methyl (2S)-2-(dibenzylamino)butanedioate
CID 102477689
dimethyl 2-(benzylamino)hexanedioate
CID 46910884

Frequently Asked Questions

What is the IUPAC name of methyl 6-(dibenzylamino)-6-triethylsilylhexanoate?
The IUPAC name of methyl 6-(dibenzylamino)-6-triethylsilylhexanoate (CID 164684180) is methyl 6-(dibenzylamino)-6-triethylsilylhexanoate.
What is the SMILES notation for methyl 6-(dibenzylamino)-6-triethylsilylhexanoate?
The canonical SMILES for methyl 6-(dibenzylamino)-6-triethylsilylhexanoate is CC[Si](CC)(CC)C(CCCCC(=O)OC)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of methyl 6-(dibenzylamino)-6-triethylsilylhexanoate?
The InChIKey is XFAQYMQXPOIVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41NO2Si/c1-5-31(6-2,7-3)26(20-14-15-21-27(29)30-4)28(22-24-16-10-8-11-17-24)23-25-18-12-9-13-19-25/h8-13,16-19,26H,5-7,14-15,20-23H2,1-4H3.
What are the key properties of methyl 6-(dibenzylamino)-6-triethylsilylhexanoate?
methyl 6-(dibenzylamino)-6-triethylsilylhexanoate has a molecular weight of 439.72 g/mol, XLogP of 6.84, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(dibenzylamino)-6-triethylsilylhexanoate is sourced from PubChem (CID 164684180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).