trimethylsilyl 5-methyl-3-[(trimethylsilylamino)methyl]hexanoate

C14H33NO2Si2 — CID 91703047

IUPACtrimethylsilyl 5-methyl-3-[(trimethylsilylamino)methyl]hexanoate
SMILESCC(C)CC(CN[Si](C)(C)C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C14H33NO2Si2/c1-12(2)9-13(11-15-18(3,4)5)10-14(16)17-19(6,7)8/h12-13,15H,9-11H2,1-8H3
InChIKeyYRQMVHPCJPTUJU-UHFFFAOYSA-N
MW303.60 g/mol
LogP3.84
Rot. Bonds8

About trimethylsilyl 5-methyl-3-[(trimethylsilylamino)methyl]hexanoate

trimethylsilyl 5-methyl-3-[(trimethylsilylamino)methyl]hexanoate (PubChem CID 91703047) has the molecular formula C14H33NO2Si2 and a molecular weight of 303.60 g/mol. Its IUPAC name is trimethylsilyl 5-methyl-3-[(trimethylsilylamino)methyl]hexanoate.

Molecular Properties

Compound Nametrimethylsilyl 5-methyl-3-[(trimethylsilylamino)methyl]hexanoate
PubChem CID91703047
Molecular FormulaC14H33NO2Si2
Molecular Weight303.60 g/mol
Exact Mass303.20
IUPAC Nametrimethylsilyl 5-methyl-3-[(trimethylsilylamino)methyl]hexanoate
SMILESCC(C)CC(CN[Si](C)(C)C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C14H33NO2Si2/c1-12(2)9-13(11-15-18(3,4)5)10-14(16)17-19(6,7)8/h12-13,15H,9-11H2,1-8H3
InChIKeyYRQMVHPCJPTUJU-UHFFFAOYSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.60
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl 3-(acetamidomethyl)-5-methylhexanoate
CID 156715100
ethyl (3S)-3-[(methoxycarbonylamino)methyl]-5-methylhexanoate
CID 25122113
ethane;methyl 3-(aminomethyl)-5-methylhexanoate
CID 168947065
trimethylsilyl 4-oxo-5-(trimethylsilylamino)pentanoate
CID 568353
3-(2-methoxy-2-oxoethyl)-5-methylhexanoate
CID 86625415
[(2S)-2-(2-butoxy-2-oxoethyl)-4-methylpentyl]carbamic acid
CID 87744270
propyl (3S)-3-[(ethoxycarbonylamino)methyl]-5-methylhexanoate
CID 25122120
[2-(2-butoxy-2-oxoethyl)-4-methylpentyl]carbamic acid
CID 87744271
5-O-tert-butyl 1-O-methyl (3R)-3-(2-methylpropyl)pentanedioate
CID 86625413
bis(trimethylsilyl) 2-trimethylsilyloxybutanedioate
CID 522155
3-[(cycloheptylamino)methyl]-5-methylhexanoic acid
CID 82932880
2-methylpropyl (3S)-3-(aminomethyl)-5-methylhexanoate;hydrochloride
CID 122156859

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 5-methyl-3-[(trimethylsilylamino)methyl]hexanoate?
The IUPAC name of trimethylsilyl 5-methyl-3-[(trimethylsilylamino)methyl]hexanoate (CID 91703047) is trimethylsilyl 5-methyl-3-[(trimethylsilylamino)methyl]hexanoate.
What is the SMILES notation for trimethylsilyl 5-methyl-3-[(trimethylsilylamino)methyl]hexanoate?
The canonical SMILES for trimethylsilyl 5-methyl-3-[(trimethylsilylamino)methyl]hexanoate is CC(C)CC(CN[Si](C)(C)C)CC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 5-methyl-3-[(trimethylsilylamino)methyl]hexanoate?
The InChIKey is YRQMVHPCJPTUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33NO2Si2/c1-12(2)9-13(11-15-18(3,4)5)10-14(16)17-19(6,7)8/h12-13,15H,9-11H2,1-8H3.
What are the key properties of trimethylsilyl 5-methyl-3-[(trimethylsilylamino)methyl]hexanoate?
trimethylsilyl 5-methyl-3-[(trimethylsilylamino)methyl]hexanoate has a molecular weight of 303.60 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 5-methyl-3-[(trimethylsilylamino)methyl]hexanoate is sourced from PubChem (CID 91703047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).