3-triethoxysilylhexanedioic acid

C12H24O7Si — CID 154307463

IUPAC3-triethoxysilylhexanedioic acid
SMILESCCO[Si](OCC)(OCC)C(CCC(=O)O)CC(=O)O
InChIInChI=1S/C12H24O7Si/c1-4-17-20(18-5-2,19-6-3)10(9-12(15)16)7-8-11(13)14/h10H,4-9H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyMCIITXKVEUHWHS-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.74
Rot. Bonds12

About 3-triethoxysilylhexanedioic acid

3-triethoxysilylhexanedioic acid (PubChem CID 154307463) has the molecular formula C12H24O7Si and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-triethoxysilylhexanedioic acid.

Molecular Properties

Compound Name3-triethoxysilylhexanedioic acid
PubChem CID154307463
Molecular FormulaC12H24O7Si
Molecular Weight308.40 g/mol
Exact Mass308.13
IUPAC Name3-triethoxysilylhexanedioic acid
SMILESCCO[Si](OCC)(OCC)C(CCC(=O)O)CC(=O)O
InChIInChI=1S/C12H24O7Si/c1-4-17-20(18-5-2,19-6-3)10(9-12(15)16)7-8-11(13)14/h10H,4-9H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyMCIITXKVEUHWHS-UHFFFAOYSA-N
XLogP1.74
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[(Tert-butyldimethylsilyl)oxy]hexanoic acid
CID 12717311
Heptanoic acid, 7-t-butyldimethylsilyloxy-
CID 554796
Adipic acid, trimethylsilyl ester
CID 57264864
4-(Triethoxysilyl)butanoic acid
CID 22002212
5-(Trimethoxysilyl) pentanoic acid
CID 22385438
11-Triethoxysilylundecanoic acid
CID 22725829
5-(Triethoxysilyl)pentanoic acid
CID 22725831
6-Tri(propan-2-yl)silyloxyhexanoic acid
CID 86087422
6-[Tert-butyl(dimethyl)silyl]oxy-2-oxohexanoic acid
CID 134916975
6-(Trimethylsilyl)hexanoic acid
CID 262866
6-[Tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid
CID 19776884
Methyl 6-hydroxy-6-trimethylsilylhexanoate
CID 10536825

Frequently Asked Questions

What is the IUPAC name of 3-triethoxysilylhexanedioic acid?
The IUPAC name of 3-triethoxysilylhexanedioic acid (CID 154307463) is 3-triethoxysilylhexanedioic acid.
What is the SMILES notation for 3-triethoxysilylhexanedioic acid?
The canonical SMILES for 3-triethoxysilylhexanedioic acid is CCO[Si](OCC)(OCC)C(CCC(=O)O)CC(=O)O.
What is the InChIKey of 3-triethoxysilylhexanedioic acid?
The InChIKey is MCIITXKVEUHWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O7Si/c1-4-17-20(18-5-2,19-6-3)10(9-12(15)16)7-8-11(13)14/h10H,4-9H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 3-triethoxysilylhexanedioic acid?
3-triethoxysilylhexanedioic acid has a molecular weight of 308.40 g/mol, XLogP of 1.74, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethoxysilylhexanedioic acid is sourced from PubChem (CID 154307463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).