methane;2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]butanedioic acid

C17H44O6Si3 — CID 159367564

IUPACmethane;2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]butanedioic acid
SMILESC.C.C.C[Si](C)(C)O[Si](C)(CCCC(CC(=O)O)C(=O)O)O[Si](C)(C)C
InChIInChI=1S/C14H32O6Si3.3CH4/c1-21(2,3)19-23(7,20-22(4,5)6)10-8-9-12(14(17)18)11-13(15)16;;;/h12H,8-11H2,1-7H3,(H,15,16)(H,17,18);3*1H4
InChIKeyLJIBUBACSZOXAM-UHFFFAOYSA-N
MW428.79 g/mol
LogP5.63
Rot. Bonds11

About methane;2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]butanedioic acid

methane;2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]butanedioic acid (PubChem CID 159367564) has the molecular formula C17H44O6Si3 and a molecular weight of 428.79 g/mol. Its IUPAC name is methane;2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]butanedioic acid.

Molecular Properties

Compound Namemethane;2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]butanedioic acid
PubChem CID159367564
Molecular FormulaC17H44O6Si3
Molecular Weight428.79 g/mol
Exact Mass428.24
IUPAC Namemethane;2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]butanedioic acid
SMILESC.C.C.C[Si](C)(C)O[Si](C)(CCCC(CC(=O)O)C(=O)O)O[Si](C)(C)C
InChIInChI=1S/C14H32O6Si3.3CH4/c1-21(2,3)19-23(7,20-22(4,5)6)10-8-9-12(14(17)18)11-13(15)16;;;/h12H,8-11H2,1-7H3,(H,15,16)(H,17,18);3*1H4
InChIKeyLJIBUBACSZOXAM-UHFFFAOYSA-N
XLogP5.63
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.79
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[[[4-carboxy-6-[6-[3-carboxy-6-[[(4-carboxy-6-hexadecoxy-6-oxohexyl)-methyl-trimethylsilyloxysilyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]hexanoyl]oxyhexoxy]-6-oxohexyl]-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]-3-hexadecoxycarbonylhexanoic acid;methane;tungsten;bis(yttrium)
CID 161395357
nonane-1,2,8,9-tetracarboxylic acid
CID 139878415
2-(2-trimethoxysilylethyl)butanedioic acid
CID 142550319
2-(5-methylhexyl)butanedioic acid
CID 174966499
(2R)-2-dodecylbutanedioic acid
CID 98461760
2-hexadecylbutanedioic acid;octadecane
CID 174480572
2-(3-acetyloxypropyl)butanedioic acid
CID 10465956
5-[[[3-(carboxymethyl)-4-[3-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]propylamino]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]-2-[2-[2-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]ethylamino]-2-oxoethyl]pentanoic acid;methane;bis(yttrium)
CID 157410633
CID 87764035
CID 87764035
(2S)-2-propylbutanedioic acid
CID 12648185
heptane-1,2,7-tricarboxylic acid
CID 86256210
2-(2-methoxyethyl)butanedioic acid
CID 13255587

Frequently Asked Questions

What is the IUPAC name of methane;2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]butanedioic acid?
The IUPAC name of methane;2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]butanedioic acid (CID 159367564) is methane;2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]butanedioic acid.
What is the SMILES notation for methane;2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]butanedioic acid?
The canonical SMILES for methane;2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]butanedioic acid is C.C.C.C[Si](C)(C)O[Si](C)(CCCC(CC(=O)O)C(=O)O)O[Si](C)(C)C.
What is the InChIKey of methane;2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]butanedioic acid?
The InChIKey is LJIBUBACSZOXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O6Si3.3CH4/c1-21(2,3)19-23(7,20-22(4,5)6)10-8-9-12(14(17)18)11-13(15)16;;;/h12H,8-11H2,1-7H3,(H,15,16)(H,17,18);3*1H4.
What are the key properties of methane;2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]butanedioic acid?
methane;2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]butanedioic acid has a molecular weight of 428.79 g/mol, XLogP of 5.63, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]butanedioic acid is sourced from PubChem (CID 159367564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).