6-[dimethyl(trimethylsilyloxy)silyl]-3-methylhex-2-enoic acid

C12H26O3Si2 — CID 175561112

IUPAC6-[dimethyl(trimethylsilyloxy)silyl]-3-methylhex-2-enoic acid
SMILESCC(=CC(=O)O)CCC[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C12H26O3Si2/c1-11(10-12(13)14)8-7-9-17(5,6)15-16(2,3)4/h10H,7-9H2,1-6H3,(H,13,14)
InChIKeyQVURAKPDWLVTOK-UHFFFAOYSA-N
MW274.51 g/mol
LogP3.85
Rot. Bonds7

About 6-[dimethyl(trimethylsilyloxy)silyl]-3-methylhex-2-enoic acid

6-[dimethyl(trimethylsilyloxy)silyl]-3-methylhex-2-enoic acid (PubChem CID 175561112) has the molecular formula C12H26O3Si2 and a molecular weight of 274.51 g/mol. Its IUPAC name is 6-[dimethyl(trimethylsilyloxy)silyl]-3-methylhex-2-enoic acid.

Molecular Properties

Compound Name6-[dimethyl(trimethylsilyloxy)silyl]-3-methylhex-2-enoic acid
PubChem CID175561112
Molecular FormulaC12H26O3Si2
Molecular Weight274.51 g/mol
Exact Mass274.14
IUPAC Name6-[dimethyl(trimethylsilyloxy)silyl]-3-methylhex-2-enoic acid
SMILESCC(=CC(=O)O)CCC[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C12H26O3Si2/c1-11(10-12(13)14)8-7-9-17(5,6)15-16(2,3)4/h10H,7-9H2,1-6H3,(H,13,14)
InChIKeyQVURAKPDWLVTOK-UHFFFAOYSA-N
XLogP3.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[dimethyl(trimethylsilyloxy)silyl]-2-methylidenepentanoic acid
CID 87359143
4-[[[[[3-carboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butanoic acid
CID 102394248
(E)-7-hydroxy-3,7-dimethyloct-2-enoic acid
CID 15726749
(Z)-3-methyl-4-trimethylsilylbut-2-enoic acid
CID 14942072
11-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]undecanoic acid
CID 102202619
5-acetyloxy-3-methylpent-2-enoic acid
CID 54446505
3,12-dimethyltridec-2-enoic acid
CID 54254777
3-methylpentadeca-2,14-dienoic acid
CID 54228685
2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethyl-trimethylsilyloxysilane
CID 53406149
2-cyclohexyl-3-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]but-2-enedioic acid
CID 67764331
(E)-2-(3-trimethylsilylpropyl)but-2-enedioic acid
CID 87533904
dimethyl-pentyl-trimethylsilyloxysilane
CID 59128075

Frequently Asked Questions

What is the IUPAC name of 6-[dimethyl(trimethylsilyloxy)silyl]-3-methylhex-2-enoic acid?
The IUPAC name of 6-[dimethyl(trimethylsilyloxy)silyl]-3-methylhex-2-enoic acid (CID 175561112) is 6-[dimethyl(trimethylsilyloxy)silyl]-3-methylhex-2-enoic acid.
What is the SMILES notation for 6-[dimethyl(trimethylsilyloxy)silyl]-3-methylhex-2-enoic acid?
The canonical SMILES for 6-[dimethyl(trimethylsilyloxy)silyl]-3-methylhex-2-enoic acid is CC(=CC(=O)O)CCC[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of 6-[dimethyl(trimethylsilyloxy)silyl]-3-methylhex-2-enoic acid?
The InChIKey is QVURAKPDWLVTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si2/c1-11(10-12(13)14)8-7-9-17(5,6)15-16(2,3)4/h10H,7-9H2,1-6H3,(H,13,14).
What are the key properties of 6-[dimethyl(trimethylsilyloxy)silyl]-3-methylhex-2-enoic acid?
6-[dimethyl(trimethylsilyloxy)silyl]-3-methylhex-2-enoic acid has a molecular weight of 274.51 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[dimethyl(trimethylsilyloxy)silyl]-3-methylhex-2-enoic acid is sourced from PubChem (CID 175561112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).