3-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl]pentanedioic acid

C12H26O5Si2 — CID 59128080

IUPAC3-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl]pentanedioic acid
SMILESC[Si](C)(C)O[Si](C)(C)CCC(CC(=O)O)CC(=O)O
InChIInChI=1S/C12H26O5Si2/c1-18(2,3)17-19(4,5)7-6-10(8-11(13)14)9-12(15)16/h10H,6-9H2,1-5H3,(H,13,14)(H,15,16)
InChIKeyBHKMXPOCJCZWJS-UHFFFAOYSA-N
MW306.51 g/mol
LogP3.00
Rot. Bonds9

About 3-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl]pentanedioic acid

3-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl]pentanedioic acid (PubChem CID 59128080) has the molecular formula C12H26O5Si2 and a molecular weight of 306.51 g/mol. Its IUPAC name is 3-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl]pentanedioic acid.

Molecular Properties

Compound Name3-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl]pentanedioic acid
PubChem CID59128080
Molecular FormulaC12H26O5Si2
Molecular Weight306.51 g/mol
Exact Mass306.13
IUPAC Name3-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl]pentanedioic acid
SMILESC[Si](C)(C)O[Si](C)(C)CCC(CC(=O)O)CC(=O)O
InChIInChI=1S/C12H26O5Si2/c1-18(2,3)17-19(4,5)7-6-10(8-11(13)14)9-12(15)16/h10H,6-9H2,1-5H3,(H,13,14)(H,15,16)
InChIKeyBHKMXPOCJCZWJS-UHFFFAOYSA-N
XLogP3.00
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.51
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl]pentanedioic acid?
The IUPAC name of 3-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl]pentanedioic acid (CID 59128080) is 3-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl]pentanedioic acid.
What is the SMILES notation for 3-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl]pentanedioic acid?
The canonical SMILES for 3-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl]pentanedioic acid is C[Si](C)(C)O[Si](C)(C)CCC(CC(=O)O)CC(=O)O.
What is the InChIKey of 3-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl]pentanedioic acid?
The InChIKey is BHKMXPOCJCZWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5Si2/c1-18(2,3)17-19(4,5)7-6-10(8-11(13)14)9-12(15)16/h10H,6-9H2,1-5H3,(H,13,14)(H,15,16).
What are the key properties of 3-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl]pentanedioic acid?
3-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl]pentanedioic acid has a molecular weight of 306.51 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl]pentanedioic acid is sourced from PubChem (CID 59128080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).