2-[diethoxy(methyl)silyl]-3-propylbutanedioic acid

C12H24O6Si — CID 23295329

IUPAC2-[diethoxy(methyl)silyl]-3-propylbutanedioic acid
SMILESCCCC(C(=O)O)C(C(=O)O)[Si](C)(OCC)OCC
InChIInChI=1S/C12H24O6Si/c1-5-8-9(11(13)14)10(12(15)16)19(4,17-6-2)18-7-3/h9-10H,5-8H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyFGNSFXXSBHZTDY-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.09
Rot. Bonds10

About 2-[diethoxy(methyl)silyl]-3-propylbutanedioic acid

2-[diethoxy(methyl)silyl]-3-propylbutanedioic acid (PubChem CID 23295329) has the molecular formula C12H24O6Si and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-[diethoxy(methyl)silyl]-3-propylbutanedioic acid.

Molecular Properties

Compound Name2-[diethoxy(methyl)silyl]-3-propylbutanedioic acid
PubChem CID23295329
Molecular FormulaC12H24O6Si
Molecular Weight292.40 g/mol
Exact Mass292.13
IUPAC Name2-[diethoxy(methyl)silyl]-3-propylbutanedioic acid
SMILESCCCC(C(=O)O)C(C(=O)O)[Si](C)(OCC)OCC
InChIInChI=1S/C12H24O6Si/c1-5-8-9(11(13)14)10(12(15)16)19(4,17-6-2)18-7-3/h9-10H,5-8H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyFGNSFXXSBHZTDY-UHFFFAOYSA-N
XLogP2.09
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[diethoxy(methyl)silyl]-3-propylbutanedioic acid?
The IUPAC name of 2-[diethoxy(methyl)silyl]-3-propylbutanedioic acid (CID 23295329) is 2-[diethoxy(methyl)silyl]-3-propylbutanedioic acid.
What is the SMILES notation for 2-[diethoxy(methyl)silyl]-3-propylbutanedioic acid?
The canonical SMILES for 2-[diethoxy(methyl)silyl]-3-propylbutanedioic acid is CCCC(C(=O)O)C(C(=O)O)[Si](C)(OCC)OCC.
What is the InChIKey of 2-[diethoxy(methyl)silyl]-3-propylbutanedioic acid?
The InChIKey is FGNSFXXSBHZTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O6Si/c1-5-8-9(11(13)14)10(12(15)16)19(4,17-6-2)18-7-3/h9-10H,5-8H2,1-4H3,(H,13,14)(H,15,16).
What are the key properties of 2-[diethoxy(methyl)silyl]-3-propylbutanedioic acid?
2-[diethoxy(methyl)silyl]-3-propylbutanedioic acid has a molecular weight of 292.40 g/mol, XLogP of 2.09, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diethoxy(methyl)silyl]-3-propylbutanedioic acid is sourced from PubChem (CID 23295329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).