2-[3-(dimethoxymethylsilyl)propyl]butanedioic acid

C10H20O6Si — CID 150817687

IUPAC2-[3-(dimethoxymethylsilyl)propyl]butanedioic acid
SMILESCOC(OC)[SiH2]CCCC(CC(=O)O)C(=O)O
InChIInChI=1S/C10H20O6Si/c1-15-10(16-2)17-5-3-4-7(9(13)14)6-8(11)12/h7,10H,3-6,17H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyKJFYEIXZXRGFIM-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.11
Rot. Bonds10

About 2-[3-(dimethoxymethylsilyl)propyl]butanedioic acid

2-[3-(dimethoxymethylsilyl)propyl]butanedioic acid (PubChem CID 150817687) has the molecular formula C10H20O6Si and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[3-(dimethoxymethylsilyl)propyl]butanedioic acid.

Molecular Properties

Compound Name2-[3-(dimethoxymethylsilyl)propyl]butanedioic acid
PubChem CID150817687
Molecular FormulaC10H20O6Si
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name2-[3-(dimethoxymethylsilyl)propyl]butanedioic acid
SMILESCOC(OC)[SiH2]CCCC(CC(=O)O)C(=O)O
InChIInChI=1S/C10H20O6Si/c1-15-10(16-2)17-5-3-4-7(9(13)14)6-8(11)12/h7,10H,3-6,17H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyKJFYEIXZXRGFIM-UHFFFAOYSA-N
XLogP0.11
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

nonane-1,2,8,9-tetracarboxylic acid
CID 139878415
(2S)-2-propylbutanedioic acid
CID 12648185
2-(2-methoxyethyl)butanedioic acid
CID 13255587
2-(5-methylhexyl)butanedioic acid
CID 174966499
2-hexadecylbutanedioic acid;octadecane
CID 174480572
(2R)-2-dodecylbutanedioic acid
CID 98461760
2-(3-acetyloxypropyl)butanedioic acid
CID 10465956
2-(2-trimethoxysilylethyl)butanedioic acid
CID 142550319
2-(3-methoxy-3-oxopropyl)butanedioic acid
CID 54112724
CID 87764035
CID 87764035
heptane-1,2,7-tricarboxylic acid
CID 86256210
2-(3,3-dimethylbutyl)butanedioic acid
CID 87993022

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethoxymethylsilyl)propyl]butanedioic acid?
The IUPAC name of 2-[3-(dimethoxymethylsilyl)propyl]butanedioic acid (CID 150817687) is 2-[3-(dimethoxymethylsilyl)propyl]butanedioic acid.
What is the SMILES notation for 2-[3-(dimethoxymethylsilyl)propyl]butanedioic acid?
The canonical SMILES for 2-[3-(dimethoxymethylsilyl)propyl]butanedioic acid is COC(OC)[SiH2]CCCC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-[3-(dimethoxymethylsilyl)propyl]butanedioic acid?
The InChIKey is KJFYEIXZXRGFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O6Si/c1-15-10(16-2)17-5-3-4-7(9(13)14)6-8(11)12/h7,10H,3-6,17H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-[3-(dimethoxymethylsilyl)propyl]butanedioic acid?
2-[3-(dimethoxymethylsilyl)propyl]butanedioic acid has a molecular weight of 264.35 g/mol, XLogP of 0.11, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethoxymethylsilyl)propyl]butanedioic acid is sourced from PubChem (CID 150817687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).