acetic acid;2-methanidyl-4-trimethylsilylbutanoic acid;tungsten(2+)

C10H20O4SiW — CID 20587644

IUPACacetic acid;2-methanidyl-4-trimethylsilylbutanoic acid;tungsten(2+)
SMILES[CH2-]C(=O)O.[CH2-]C(CC[Si](C)(C)C)C(=O)O.[W+2]
InChIInChI=1S/C8H17O2Si.C2H3O2.W/c1-7(8(9)10)5-6-11(2,3)4;1-2(3)4;/h7H,1,5-6H2,2-4H3,(H,9,10);1H2,(H,3,4);/q2*-1;+2
InChIKeyMJYMCTUYAZGSTC-UHFFFAOYSA-N
MW416.19 g/mol
LogP2.15
Rot. Bonds4

About acetic acid;2-methanidyl-4-trimethylsilylbutanoic acid;tungsten(2+)

acetic acid;2-methanidyl-4-trimethylsilylbutanoic acid;tungsten(2+) (PubChem CID 20587644) has the molecular formula C10H20O4SiW and a molecular weight of 416.19 g/mol. Its IUPAC name is acetic acid;2-methanidyl-4-trimethylsilylbutanoic acid;tungsten(2+).

Molecular Properties

Compound Nameacetic acid;2-methanidyl-4-trimethylsilylbutanoic acid;tungsten(2+)
PubChem CID20587644
Molecular FormulaC10H20O4SiW
Molecular Weight416.19 g/mol
Exact Mass416.06
IUPAC Nameacetic acid;2-methanidyl-4-trimethylsilylbutanoic acid;tungsten(2+)
SMILES[CH2-]C(=O)O.[CH2-]C(CC[Si](C)(C)C)C(=O)O.[W+2]
InChIInChI=1S/C8H17O2Si.C2H3O2.W/c1-7(8(9)10)5-6-11(2,3)4;1-2(3)4;/h7H,1,5-6H2,2-4H3,(H,9,10);1H2,(H,3,4);/q2*-1;+2
InChIKeyMJYMCTUYAZGSTC-UHFFFAOYSA-N
XLogP2.15
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.19
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(2-trimethylsilylethyl)pentanoic acid
CID 90845245
2-(2-trimethylsilylethyl)heptanedioic acid
CID 172786618
sodium;[(1S)-1-carboxypropyl]-oxido-oxophosphanium;methane;2-methanidylpropanoic acid
CID 162229036
3,3-dimethyl-2-(trimethylsilylmethyl)butanoic acid
CID 57231506
2-[methyl(2-trimethylsilylethoxycarbonyl)amino]pentanoic acid
CID 162422079
2-butylpropanedioic acid;dihydrochloride
CID 87134690
(2S)-2-(2-trimethylsilylethoxycarbonylamino)butanoic acid
CID 156620019
(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-trimethylsilylpentanoyl]amino]-4-methylpentanoic acid
CID 10765183
CID 87702087
CID 87702087
magnesium;2-butylpropanedioic acid;hydride
CID 174337936
2-pentan-2-ylpropanedioic acid
CID 11469359
dihydroxy(oxo)phosphanium;2-propylpropanedioic acid
CID 174636212

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-methanidyl-4-trimethylsilylbutanoic acid;tungsten(2+)?
The IUPAC name of acetic acid;2-methanidyl-4-trimethylsilylbutanoic acid;tungsten(2+) (CID 20587644) is acetic acid;2-methanidyl-4-trimethylsilylbutanoic acid;tungsten(2+).
What is the SMILES notation for acetic acid;2-methanidyl-4-trimethylsilylbutanoic acid;tungsten(2+)?
The canonical SMILES for acetic acid;2-methanidyl-4-trimethylsilylbutanoic acid;tungsten(2+) is [CH2-]C(=O)O.[CH2-]C(CC[Si](C)(C)C)C(=O)O.[W+2].
What is the InChIKey of acetic acid;2-methanidyl-4-trimethylsilylbutanoic acid;tungsten(2+)?
The InChIKey is MJYMCTUYAZGSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O2Si.C2H3O2.W/c1-7(8(9)10)5-6-11(2,3)4;1-2(3)4;/h7H,1,5-6H2,2-4H3,(H,9,10);1H2,(H,3,4);/q2*-1;+2.
What are the key properties of acetic acid;2-methanidyl-4-trimethylsilylbutanoic acid;tungsten(2+)?
acetic acid;2-methanidyl-4-trimethylsilylbutanoic acid;tungsten(2+) has a molecular weight of 416.19 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-methanidyl-4-trimethylsilylbutanoic acid;tungsten(2+) is sourced from PubChem (CID 20587644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).