2,2-dideuterio-4-trimethoxysilylbutanoic acid

C7H16O5Si — CID 175956620

IUPAC2,2-dideuterio-4-trimethoxysilylbutanoic acid
SMILES[2H]C([2H])(CC[Si](OC)(OC)OC)C(=O)O
InChIInChI=1S/C7H16O5Si/c1-10-13(11-2,12-3)6-4-5-7(8)9/h4-6H2,1-3H3,(H,8,9)/i5D2
InChIKeyVKVJAWNFDVEVBK-BFWBPSQCSA-N
MW210.30 g/mol
LogP0.73
Rot. Bonds7

About 2,2-dideuterio-4-trimethoxysilylbutanoic acid

2,2-dideuterio-4-trimethoxysilylbutanoic acid (PubChem CID 175956620) has the molecular formula C7H16O5Si and a molecular weight of 210.30 g/mol. Its IUPAC name is 2,2-dideuterio-4-trimethoxysilylbutanoic acid.

Molecular Properties

Compound Name2,2-dideuterio-4-trimethoxysilylbutanoic acid
PubChem CID175956620
Molecular FormulaC7H16O5Si
Molecular Weight210.30 g/mol
Exact Mass210.09
IUPAC Name2,2-dideuterio-4-trimethoxysilylbutanoic acid
SMILES[2H]C([2H])(CC[Si](OC)(OC)OC)C(=O)O
InChIInChI=1S/C7H16O5Si/c1-10-13(11-2,12-3)6-4-5-7(8)9/h4-6H2,1-3H3,(H,8,9)/i5D2
InChIKeyVKVJAWNFDVEVBK-BFWBPSQCSA-N
XLogP0.73
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

carboxymethyl-ethyl-methyl-(3-trimethoxysilylpropyl)azanium
CID 123977555
3-sulfanylpropanoic acid;3-trimethoxysilylpropane-1-thiol
CID 88693959
3-sulfanyl-6-trimethoxysilylhexanoic acid
CID 142550334
4-trimethoxysilylbutylcarbamic acid
CID 18755644
methyl(3-trimethoxysilylpropyl)carbamic acid
CID 71432003
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
3-(10-trimethoxysilyldecylamino)propanoic acid
CID 151748787
3-(5-trimethoxysilylpentylamino)propanoic acid
CID 150405129
2,2,3,3-tetradeuteriobutanedioic acid
CID 12998487
6-trimethoxysilylhexan-3-one
CID 154355591
2-[2-aminoethyl(3-trimethoxysilylpropyl)amino]acetic acid
CID 59561248

Frequently Asked Questions

What is the IUPAC name of 2,2-dideuterio-4-trimethoxysilylbutanoic acid?
The IUPAC name of 2,2-dideuterio-4-trimethoxysilylbutanoic acid (CID 175956620) is 2,2-dideuterio-4-trimethoxysilylbutanoic acid.
What is the SMILES notation for 2,2-dideuterio-4-trimethoxysilylbutanoic acid?
The canonical SMILES for 2,2-dideuterio-4-trimethoxysilylbutanoic acid is [2H]C([2H])(CC[Si](OC)(OC)OC)C(=O)O.
What is the InChIKey of 2,2-dideuterio-4-trimethoxysilylbutanoic acid?
The InChIKey is VKVJAWNFDVEVBK-BFWBPSQCSA-N. The full InChI is InChI=1S/C7H16O5Si/c1-10-13(11-2,12-3)6-4-5-7(8)9/h4-6H2,1-3H3,(H,8,9)/i5D2.
What are the key properties of 2,2-dideuterio-4-trimethoxysilylbutanoic acid?
2,2-dideuterio-4-trimethoxysilylbutanoic acid has a molecular weight of 210.30 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dideuterio-4-trimethoxysilylbutanoic acid is sourced from PubChem (CID 175956620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).