5-[[dimethyl(trimethylsilyloxy)silyl]methoxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]-2-methylpentanoic acid

C18H46O6Si5 — CID 90193114

IUPAC5-[[dimethyl(trimethylsilyloxy)silyl]methoxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]-2-methylpentanoic acid
SMILESCC(CCC[Si](C)(OC[Si](C)(C)O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C)C(=O)O
InChIInChI=1S/C18H46O6Si5/c1-17(18(19)20)14-13-15-29(12,24-28(10,11)23-26(5,6)7)21-16-27(8,9)22-25(2,3)4/h17H,13-16H2,1-12H3,(H,19,20)
InChIKeyNNHITDYCGZIEFZ-UHFFFAOYSA-N
MW498.99 g/mol
LogP5.74
Rot. Bonds14

About 5-[[dimethyl(trimethylsilyloxy)silyl]methoxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]-2-methylpentanoic acid

5-[[dimethyl(trimethylsilyloxy)silyl]methoxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]-2-methylpentanoic acid (PubChem CID 90193114) has the molecular formula C18H46O6Si5 and a molecular weight of 498.99 g/mol. Its IUPAC name is 5-[[dimethyl(trimethylsilyloxy)silyl]methoxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[[dimethyl(trimethylsilyloxy)silyl]methoxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]-2-methylpentanoic acid
PubChem CID90193114
Molecular FormulaC18H46O6Si5
Molecular Weight498.99 g/mol
Exact Mass498.21
IUPAC Name5-[[dimethyl(trimethylsilyloxy)silyl]methoxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]-2-methylpentanoic acid
SMILESCC(CCC[Si](C)(OC[Si](C)(C)O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C)C(=O)O
InChIInChI=1S/C18H46O6Si5/c1-17(18(19)20)14-13-15-29(12,24-28(10,11)23-26(5,6)7)21-16-27(8,9)22-25(2,3)4/h17H,13-16H2,1-12H3,(H,19,20)
InChIKeyNNHITDYCGZIEFZ-UHFFFAOYSA-N
XLogP5.74
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.99
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[dimethylsilyloxy-[[dimethyl(trimethylsilyloxy)silyl]methoxy]-methylsilyl]propyl 2-bromo-2-methylpropanoate
CID 158260593
methane;2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]butanedioic acid
CID 159367564
4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propylamino]-4-oxobutanoic acid
CID 59172342
2,2-bis[3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]propyl]propane-1,3-diol;2,2-bis[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]propane-1,3-diol;2,2-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]propane-1,3-diol;2,2-bis[3-[dimethyl(trimethylsilyloxy)silyl]propyl]propane-1,3-diol
CID 160690049
6-(3,5-dioxomorpholin-4-yl)-2-methylheptanoic acid
CID 65285337
(2R)-8-bromo-2-methyloctanoic acid
CID 163580387
[dimethyl(3-methylbutyl)silyl]oxy-dimethyl-trimethylsilyloxysilane
CID 87157525
6-[(2-bromoacetyl)amino]-2-methylhexanoic acid
CID 118167390
3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-trimethylazanium
CID 23523174
3-[methyl-(trimethylsilylmethoxy)-trimethylsilyloxysilyl]propan-1-ol
CID 59524489
2-methyl-5-[(3,4,5-trifluorobenzoyl)amino]pentanoic acid
CID 104682373
3-[[3-(carbamoylamino)propyl-[3-(carbamoylamino)propyl-[[[[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]propylurea
CID 154593866

Frequently Asked Questions

What is the IUPAC name of 5-[[dimethyl(trimethylsilyloxy)silyl]methoxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]-2-methylpentanoic acid?
The IUPAC name of 5-[[dimethyl(trimethylsilyloxy)silyl]methoxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]-2-methylpentanoic acid (CID 90193114) is 5-[[dimethyl(trimethylsilyloxy)silyl]methoxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]-2-methylpentanoic acid.
What is the SMILES notation for 5-[[dimethyl(trimethylsilyloxy)silyl]methoxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]-2-methylpentanoic acid?
The canonical SMILES for 5-[[dimethyl(trimethylsilyloxy)silyl]methoxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]-2-methylpentanoic acid is CC(CCC[Si](C)(OC[Si](C)(C)O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C)C(=O)O.
What is the InChIKey of 5-[[dimethyl(trimethylsilyloxy)silyl]methoxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]-2-methylpentanoic acid?
The InChIKey is NNHITDYCGZIEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H46O6Si5/c1-17(18(19)20)14-13-15-29(12,24-28(10,11)23-26(5,6)7)21-16-27(8,9)22-25(2,3)4/h17H,13-16H2,1-12H3,(H,19,20).
What are the key properties of 5-[[dimethyl(trimethylsilyloxy)silyl]methoxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]-2-methylpentanoic acid?
5-[[dimethyl(trimethylsilyloxy)silyl]methoxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]-2-methylpentanoic acid has a molecular weight of 498.99 g/mol, XLogP of 5.74, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[dimethyl(trimethylsilyloxy)silyl]methoxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]-2-methylpentanoic acid is sourced from PubChem (CID 90193114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).