2-[carboxymethyl-di(propan-2-yl)silyl]acetic acid

C10H20O4Si — CID 87135057

IUPAC2-[carboxymethyl-di(propan-2-yl)silyl]acetic acid
SMILESCC(C)[Si](CC(=O)O)(CC(=O)O)C(C)C
InChIInChI=1S/C10H20O4Si/c1-7(2)15(8(3)4,5-9(11)12)6-10(13)14/h7-8H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyWXMYZKYNVANKLJ-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.42
Rot. Bonds6

About 2-[carboxymethyl-di(propan-2-yl)silyl]acetic acid

2-[carboxymethyl-di(propan-2-yl)silyl]acetic acid (PubChem CID 87135057) has the molecular formula C10H20O4Si and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-[carboxymethyl-di(propan-2-yl)silyl]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-di(propan-2-yl)silyl]acetic acid
PubChem CID87135057
Molecular FormulaC10H20O4Si
Molecular Weight232.35 g/mol
Exact Mass232.11
IUPAC Name2-[carboxymethyl-di(propan-2-yl)silyl]acetic acid
SMILESCC(C)[Si](CC(=O)O)(CC(=O)O)C(C)C
InChIInChI=1S/C10H20O4Si/c1-7(2)15(8(3)4,5-9(11)12)6-10(13)14/h7-8H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyWXMYZKYNVANKLJ-UHFFFAOYSA-N
XLogP2.42
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methylbutanoic acid
CID 20849036
5-methyl-3,7-dioxononanedioic acid
CID 23344572
carbonic acid;2-methylpropane
CID 87262286
CID 87948469
CID 87948469
argon;3-methylbutanoic acid
CID 158006921
azanium;propanoic acid;hydroxide
CID 161106901
ethane-1,1-diol;hexanedioic acid
CID 160553867
2-hydroxypropanoic acid;propanoic acid
CID 175004384
2-hydroxypropanoic acid;propanedioic acid
CID 87923632
2,2-dideuterio-3-methylbutanoic acid
CID 10844347
2-sulfanylacetic acid;1-sulfanylethanol
CID 87683546
hydrazine;3-methylbutanoic acid
CID 175217584

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-di(propan-2-yl)silyl]acetic acid?
The IUPAC name of 2-[carboxymethyl-di(propan-2-yl)silyl]acetic acid (CID 87135057) is 2-[carboxymethyl-di(propan-2-yl)silyl]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-di(propan-2-yl)silyl]acetic acid?
The canonical SMILES for 2-[carboxymethyl-di(propan-2-yl)silyl]acetic acid is CC(C)[Si](CC(=O)O)(CC(=O)O)C(C)C.
What is the InChIKey of 2-[carboxymethyl-di(propan-2-yl)silyl]acetic acid?
The InChIKey is WXMYZKYNVANKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4Si/c1-7(2)15(8(3)4,5-9(11)12)6-10(13)14/h7-8H,5-6H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 2-[carboxymethyl-di(propan-2-yl)silyl]acetic acid?
2-[carboxymethyl-di(propan-2-yl)silyl]acetic acid has a molecular weight of 232.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-di(propan-2-yl)silyl]acetic acid is sourced from PubChem (CID 87135057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).