2-[[[2,2-dicarboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]methyl]-2-methylpropanedioic acid

C14H26O9Si2 — CID 4077744

IUPAC2-[[[2,2-dicarboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]methyl]-2-methylpropanedioic acid
SMILESCC(C[Si](C)(C)O[Si](C)(C)CC(C)(C(=O)O)C(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C14H26O9Si2/c1-13(9(15)16,10(17)18)7-24(3,4)23-25(5,6)8-14(2,11(19)20)12(21)22/h7-8H2,1-6H3,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyFHQOAKUFXXWBTI-UHFFFAOYSA-N
MW394.53 g/mol
LogP1.76
Rot. Bonds10

About 2-[[[2,2-dicarboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]methyl]-2-methylpropanedioic acid

2-[[[2,2-dicarboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]methyl]-2-methylpropanedioic acid (PubChem CID 4077744) has the molecular formula C14H26O9Si2 and a molecular weight of 394.53 g/mol. Its IUPAC name is 2-[[[2,2-dicarboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]methyl]-2-methylpropanedioic acid.

Molecular Properties

Compound Name2-[[[2,2-dicarboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]methyl]-2-methylpropanedioic acid
PubChem CID4077744
Molecular FormulaC14H26O9Si2
Molecular Weight394.53 g/mol
Exact Mass394.11
IUPAC Name2-[[[2,2-dicarboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]methyl]-2-methylpropanedioic acid
SMILESCC(C[Si](C)(C)O[Si](C)(C)CC(C)(C(=O)O)C(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C14H26O9Si2/c1-13(9(15)16,10(17)18)7-24(3,4)23-25(5,6)8-14(2,11(19)20)12(21)22/h7-8H2,1-6H3,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyFHQOAKUFXXWBTI-UHFFFAOYSA-N
XLogP1.76
TPSA158.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.53
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[[2,2-dicarboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]methyl]-2-methylpropanedioic acid?
The IUPAC name of 2-[[[2,2-dicarboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]methyl]-2-methylpropanedioic acid (CID 4077744) is 2-[[[2,2-dicarboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]methyl]-2-methylpropanedioic acid.
What is the SMILES notation for 2-[[[2,2-dicarboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]methyl]-2-methylpropanedioic acid?
The canonical SMILES for 2-[[[2,2-dicarboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]methyl]-2-methylpropanedioic acid is CC(C[Si](C)(C)O[Si](C)(C)CC(C)(C(=O)O)C(=O)O)(C(=O)O)C(=O)O.
What is the InChIKey of 2-[[[2,2-dicarboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]methyl]-2-methylpropanedioic acid?
The InChIKey is FHQOAKUFXXWBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O9Si2/c1-13(9(15)16,10(17)18)7-24(3,4)23-25(5,6)8-14(2,11(19)20)12(21)22/h7-8H2,1-6H3,(H,15,16)(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 2-[[[2,2-dicarboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]methyl]-2-methylpropanedioic acid?
2-[[[2,2-dicarboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]methyl]-2-methylpropanedioic acid has a molecular weight of 394.53 g/mol, XLogP of 1.76, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2,2-dicarboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]methyl]-2-methylpropanedioic acid is sourced from PubChem (CID 4077744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).