methyl 9-[2-[tert-butyl(diphenyl)silyl]oxyethylamino]dodecanoate

C31H49NO3Si — CID 10984064

IUPACmethyl 9-[2-[tert-butyl(diphenyl)silyl]oxyethylamino]dodecanoate
SMILESCCCC(CCCCCCCC(=O)OC)NCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H49NO3Si/c1-6-18-27(19-12-8-7-9-17-24-30(33)34-5)32-25-26-35-36(31(2,3)4,28-20-13-10-14-21-28)29-22-15-11-16-23-29/h10-11,13-16,20-23,27,32H,6-9,12,17-19,24-26H2,1-5H3
InChIKeySGMASXGZVOTJOS-UHFFFAOYSA-N
MW511.82 g/mol
LogP6.22
Rot. Bonds17

About methyl 9-[2-[tert-butyl(diphenyl)silyl]oxyethylamino]dodecanoate

methyl 9-[2-[tert-butyl(diphenyl)silyl]oxyethylamino]dodecanoate (PubChem CID 10984064) has the molecular formula C31H49NO3Si and a molecular weight of 511.82 g/mol. Its IUPAC name is methyl 9-[2-[tert-butyl(diphenyl)silyl]oxyethylamino]dodecanoate.

Molecular Properties

Compound Namemethyl 9-[2-[tert-butyl(diphenyl)silyl]oxyethylamino]dodecanoate
PubChem CID10984064
Molecular FormulaC31H49NO3Si
Molecular Weight511.82 g/mol
Exact Mass511.35
IUPAC Namemethyl 9-[2-[tert-butyl(diphenyl)silyl]oxyethylamino]dodecanoate
SMILESCCCC(CCCCCCCC(=O)OC)NCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H49NO3Si/c1-6-18-27(19-12-8-7-9-17-24-30(33)34-5)32-25-26-35-36(31(2,3)4,28-20-13-10-14-21-28)29-22-15-11-16-23-29/h10-11,13-16,20-23,27,32H,6-9,12,17-19,24-26H2,1-5H3
InChIKeySGMASXGZVOTJOS-UHFFFAOYSA-N
XLogP6.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.82
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 9-[2-[tert-butyl(diphenyl)silyl]oxyethylamino]dodecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[7-[4-[tert-butyl(diphenyl)silyl]oxybutylamino]-12-decanoyloxy-1,13-bis(pentylsulfanyl)tridecan-2-yl] decanoate
CID 171487369
methyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate
CID 10256822
methyl 12-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]dodecanoate
CID 10257143
[11-[2,2-bis(pentylsulfanyl)acetyl]oxy-6-[4-[tert-butyl(diphenyl)silyl]oxybutylamino]undecyl] 2-hexyldecanoate
CID 171487304
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide
CID 158535558
methyl (5S,6E,8Z)-5,11-bis[[tert-butyl(diphenyl)silyl]oxy]undeca-6,8-dienoate
CID 15462043
1-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]decan-3-yl dodecanoate
CID 20578345
methyl (4R,6S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxy-6-(hydroxymethyl)octanoate
CID 58905605
methyl 10-[chloro(diphenyl)silyl]octadecanoate
CID 101109985
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292

Frequently Asked Questions

What is the IUPAC name of methyl 9-[2-[tert-butyl(diphenyl)silyl]oxyethylamino]dodecanoate?
The IUPAC name of methyl 9-[2-[tert-butyl(diphenyl)silyl]oxyethylamino]dodecanoate (CID 10984064) is methyl 9-[2-[tert-butyl(diphenyl)silyl]oxyethylamino]dodecanoate.
What is the SMILES notation for methyl 9-[2-[tert-butyl(diphenyl)silyl]oxyethylamino]dodecanoate?
The canonical SMILES for methyl 9-[2-[tert-butyl(diphenyl)silyl]oxyethylamino]dodecanoate is CCCC(CCCCCCCC(=O)OC)NCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl 9-[2-[tert-butyl(diphenyl)silyl]oxyethylamino]dodecanoate?
The InChIKey is SGMASXGZVOTJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H49NO3Si/c1-6-18-27(19-12-8-7-9-17-24-30(33)34-5)32-25-26-35-36(31(2,3)4,28-20-13-10-14-21-28)29-22-15-11-16-23-29/h10-11,13-16,20-23,27,32H,6-9,12,17-19,24-26H2,1-5H3.
What are the key properties of methyl 9-[2-[tert-butyl(diphenyl)silyl]oxyethylamino]dodecanoate?
methyl 9-[2-[tert-butyl(diphenyl)silyl]oxyethylamino]dodecanoate has a molecular weight of 511.82 g/mol, XLogP of 6.22, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-[2-[tert-butyl(diphenyl)silyl]oxyethylamino]dodecanoate is sourced from PubChem (CID 10984064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).