3-[dimethyl(silyloxysilyl)silyl]-3-methyl-2-propan-2-ylidenehexanoic acid

C12H28O3Si3 — CID 123257515

IUPAC3-[dimethyl(silyloxysilyl)silyl]-3-methyl-2-propan-2-ylidenehexanoic acid
SMILESCCCC(C)(C(C(=O)O)=C(C)C)[Si](C)(C)[SiH2]O[SiH3]
InChIInChI=1S/C12H28O3Si3/c1-7-8-12(4,18(5,6)17-15-16)10(9(2)3)11(13)14/h7-8,17H2,1-6,16H3,(H,13,14)
InChIKeyUXQTUABXIZUAHS-UHFFFAOYSA-N
MW304.61 g/mol
LogP1.55
Rot. Bonds7

About 3-[dimethyl(silyloxysilyl)silyl]-3-methyl-2-propan-2-ylidenehexanoic acid

3-[dimethyl(silyloxysilyl)silyl]-3-methyl-2-propan-2-ylidenehexanoic acid (PubChem CID 123257515) has the molecular formula C12H28O3Si3 and a molecular weight of 304.61 g/mol. Its IUPAC name is 3-[dimethyl(silyloxysilyl)silyl]-3-methyl-2-propan-2-ylidenehexanoic acid.

Molecular Properties

Compound Name3-[dimethyl(silyloxysilyl)silyl]-3-methyl-2-propan-2-ylidenehexanoic acid
PubChem CID123257515
Molecular FormulaC12H28O3Si3
Molecular Weight304.61 g/mol
Exact Mass304.13
IUPAC Name3-[dimethyl(silyloxysilyl)silyl]-3-methyl-2-propan-2-ylidenehexanoic acid
SMILESCCCC(C)(C(C(=O)O)=C(C)C)[Si](C)(C)[SiH2]O[SiH3]
InChIInChI=1S/C12H28O3Si3/c1-7-8-12(4,18(5,6)17-15-16)10(9(2)3)11(13)14/h7-8,17H2,1-6,16H3,(H,13,14)
InChIKeyUXQTUABXIZUAHS-UHFFFAOYSA-N
XLogP1.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.61
LogP ≤ 51.55
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

2-ethoxy-2-propylpentanoic acid
CID 78969603
ethyl 2-fluoro-3-hydroxy-3-methylhexanoate
CID 79366281
2-[(2-methylpropan-2-yl)oxy]-2-propylpentanoic acid
CID 114989189
acetic acid;2-methoxypentan-2-ol
CID 130404021
2-(methoxymethyl)-2-methylpentanoic acid
CID 23056513
ethyl 3-oxobutanoate;tris(2-methylpropan-2-ol);titanium
CID 22483735
palladium;bis(2,3,4,4-tetramethylhept-2-enoic acid)
CID 165147382
(E)-2,3-bis[2-[dimethyl(methylsilyloxy)silyl]propan-2-yl]but-2-enedioic acid
CID 173341397
acetic acid;ethyl 2-aminoacetate;hydrochloride
CID 172784195
4-methylheptan-4-yl acetate
CID 58165665
9,11-dimethyl-9,11-bis(trimethoxysilyl)nonadecan-10-one
CID 87595580
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylheptanoic acid
CID 102120789

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(silyloxysilyl)silyl]-3-methyl-2-propan-2-ylidenehexanoic acid?
The IUPAC name of 3-[dimethyl(silyloxysilyl)silyl]-3-methyl-2-propan-2-ylidenehexanoic acid (CID 123257515) is 3-[dimethyl(silyloxysilyl)silyl]-3-methyl-2-propan-2-ylidenehexanoic acid.
What is the SMILES notation for 3-[dimethyl(silyloxysilyl)silyl]-3-methyl-2-propan-2-ylidenehexanoic acid?
The canonical SMILES for 3-[dimethyl(silyloxysilyl)silyl]-3-methyl-2-propan-2-ylidenehexanoic acid is CCCC(C)(C(C(=O)O)=C(C)C)[Si](C)(C)[SiH2]O[SiH3].
What is the InChIKey of 3-[dimethyl(silyloxysilyl)silyl]-3-methyl-2-propan-2-ylidenehexanoic acid?
The InChIKey is UXQTUABXIZUAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3Si3/c1-7-8-12(4,18(5,6)17-15-16)10(9(2)3)11(13)14/h7-8,17H2,1-6,16H3,(H,13,14).
What are the key properties of 3-[dimethyl(silyloxysilyl)silyl]-3-methyl-2-propan-2-ylidenehexanoic acid?
3-[dimethyl(silyloxysilyl)silyl]-3-methyl-2-propan-2-ylidenehexanoic acid has a molecular weight of 304.61 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(silyloxysilyl)silyl]-3-methyl-2-propan-2-ylidenehexanoic acid is sourced from PubChem (CID 123257515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).