2-methylidene-6-tris(trimethylsilyloxysilyl)silylhexanoic acid

C16H44O5Si7 — CID 173288745

IUPAC2-methylidene-6-tris(trimethylsilyloxysilyl)silylhexanoic acid
SMILESC=C(CCCC[Si]([SiH2]O[Si](C)(C)C)([SiH2]O[Si](C)(C)C)[SiH2]O[Si](C)(C)C)C(=O)O
InChIInChI=1S/C16H44O5Si7/c1-15(16(17)18)13-11-12-14-28(22-19-25(2,3)4,23-20-26(5,6)7)24-21-27(8,9)10/h1,11-14,22-24H2,2-10H3,(H,17,18)
InChIKeyJLQREJOFEAGNEH-UHFFFAOYSA-N
MW513.13 g/mol
LogP2.54
Rot. Bonds15

About 2-methylidene-6-tris(trimethylsilyloxysilyl)silylhexanoic acid

2-methylidene-6-tris(trimethylsilyloxysilyl)silylhexanoic acid (PubChem CID 173288745) has the molecular formula C16H44O5Si7 and a molecular weight of 513.13 g/mol. Its IUPAC name is 2-methylidene-6-tris(trimethylsilyloxysilyl)silylhexanoic acid.

Molecular Properties

Compound Name2-methylidene-6-tris(trimethylsilyloxysilyl)silylhexanoic acid
PubChem CID173288745
Molecular FormulaC16H44O5Si7
Molecular Weight513.13 g/mol
Exact Mass512.16
IUPAC Name2-methylidene-6-tris(trimethylsilyloxysilyl)silylhexanoic acid
SMILESC=C(CCCC[Si]([SiH2]O[Si](C)(C)C)([SiH2]O[Si](C)(C)C)[SiH2]O[Si](C)(C)C)C(=O)O
InChIInChI=1S/C16H44O5Si7/c1-15(16(17)18)13-11-12-14-28(22-19-25(2,3)4,23-20-26(5,6)7)24-21-27(8,9)10/h1,11-14,22-24H2,2-10H3,(H,17,18)
InChIKeyJLQREJOFEAGNEH-UHFFFAOYSA-N
XLogP2.54
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.13
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methylidene-6-tris(trimethylsilyloxysilyl)silylhexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[dimethyl(trimethylsilyloxy)silyl]-2-methylidenepentanoic acid
CID 87359143
2,11-dimethylidenedodecanedioic acid
CID 20542368
6-[methyl-bis(3,3,4,4,4-pentafluorobutyl)silyl]-2-methylidenehexanoic acid
CID 19816645
2-methylidene-7-oxooctanoic acid
CID 87625234
2-methylidenedecanoic acid;2-methylideneundecanoic acid
CID 87527808
2-methylidenehexanoic acid;zinc
CID 174824467
magnesium;hydride;2-methylideneheptanoic acid
CID 174921756
ethane;2-methylidenehexanoic acid
CID 162072915
14-(diethylamino)-2-methylidenetetradecanoic acid
CID 54053311
2-methylidene-6-propoxyhexanoic acid
CID 54278794
6-[(3,5,7,9,11,13,15-heptakis-phenyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)oxy-dimethylsilyl]-2-methylidenehexanoic acid
CID 91162716
7-hexoxy-2-methylideneheptanoic acid
CID 141336232

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-6-tris(trimethylsilyloxysilyl)silylhexanoic acid?
The IUPAC name of 2-methylidene-6-tris(trimethylsilyloxysilyl)silylhexanoic acid (CID 173288745) is 2-methylidene-6-tris(trimethylsilyloxysilyl)silylhexanoic acid.
What is the SMILES notation for 2-methylidene-6-tris(trimethylsilyloxysilyl)silylhexanoic acid?
The canonical SMILES for 2-methylidene-6-tris(trimethylsilyloxysilyl)silylhexanoic acid is C=C(CCCC[Si]([SiH2]O[Si](C)(C)C)([SiH2]O[Si](C)(C)C)[SiH2]O[Si](C)(C)C)C(=O)O.
What is the InChIKey of 2-methylidene-6-tris(trimethylsilyloxysilyl)silylhexanoic acid?
The InChIKey is JLQREJOFEAGNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H44O5Si7/c1-15(16(17)18)13-11-12-14-28(22-19-25(2,3)4,23-20-26(5,6)7)24-21-27(8,9)10/h1,11-14,22-24H2,2-10H3,(H,17,18).
What are the key properties of 2-methylidene-6-tris(trimethylsilyloxysilyl)silylhexanoic acid?
2-methylidene-6-tris(trimethylsilyloxysilyl)silylhexanoic acid has a molecular weight of 513.13 g/mol, XLogP of 2.54, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-6-tris(trimethylsilyloxysilyl)silylhexanoic acid is sourced from PubChem (CID 173288745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).