2-methyl-6-tris[[methyl-bis(trimethylsilyloxy)silyl]oxy]silylhex-2-enoic acid

C28H74O11Si10 — CID 57280861

IUPAC2-methyl-6-tris[[methyl-bis(trimethylsilyloxy)silyl]oxy]silylhex-2-enoic acid
SMILESCC(=CCCC[Si](O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O
InChIInChI=1S/C28H74O11Si10/c1-27(28(29)30)25-23-24-26-49(37-46(20,31-40(2,3)4)32-41(5,6)7,38-47(21,33-42(8,9)10)34-43(11,12)13)39-48(22,35-44(14,15)16)36-45(17,18)19/h25H,23-24,26H2,1-22H3,(H,29,30)
InChIKeyKLNKQCDINBOLDC-UHFFFAOYSA-N
MW867.75 g/mol
LogP9.60
Rot. Bonds23

About 2-methyl-6-tris[[methyl-bis(trimethylsilyloxy)silyl]oxy]silylhex-2-enoic acid

2-methyl-6-tris[[methyl-bis(trimethylsilyloxy)silyl]oxy]silylhex-2-enoic acid (PubChem CID 57280861) has the molecular formula C28H74O11Si10 and a molecular weight of 867.75 g/mol. Its IUPAC name is 2-methyl-6-tris[[methyl-bis(trimethylsilyloxy)silyl]oxy]silylhex-2-enoic acid.

Molecular Properties

Compound Name2-methyl-6-tris[[methyl-bis(trimethylsilyloxy)silyl]oxy]silylhex-2-enoic acid
PubChem CID57280861
Molecular FormulaC28H74O11Si10
Molecular Weight867.75 g/mol
Exact Mass866.29
IUPAC Name2-methyl-6-tris[[methyl-bis(trimethylsilyloxy)silyl]oxy]silylhex-2-enoic acid
SMILESCC(=CCCC[Si](O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O
InChIInChI=1S/C28H74O11Si10/c1-27(28(29)30)25-23-24-26-49(37-46(20,31-40(2,3)4)32-41(5,6)7,38-47(21,33-42(8,9)10)34-43(11,12)13)39-48(22,35-44(14,15)16)36-45(17,18)19/h25H,23-24,26H2,1-22H3,(H,29,30)
InChIKeyKLNKQCDINBOLDC-UHFFFAOYSA-N
XLogP9.60
TPSA120.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.75
LogP ≤ 59.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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'}

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Related Compounds

(E)-2-methyl-6-trimethoxysilylhex-2-enoic acid
CID 57455697
2-methyl-6-trimethoxysilylhex-2-enoic acid;sulfane
CID 173006687
(E)-2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid
CID 87648980
6-[chloro(dimethyl)silyl]-2-methylhex-2-enoic acid
CID 91175043
2,13-dimethyltetradeca-2,12-dienedioic acid
CID 173279289
8-amino-2-methyloct-2-enoic acid
CID 90963841
2-methyl-6-trimethoxysilylhex-2-enoic acid;3-triethoxysilylpropyl 2-methylprop-2-enoate
CID 162204652
(E)-7-bromo-2-methylhept-2-enoic acid
CID 87183825
2,3-bis[3-tris(trimethylsilyloxy)silylpropyl]but-2-enedioic acid
CID 54305783
(E)-6-ethoxy-2-methylhex-2-enoic acid
CID 87120210
2-methyl-6-tris(2-trimethylsilyloxan-2-yl)silylhex-2-enoic acid
CID 57084286
methane;2-methyl-6-silylhex-2-enoic acid
CID 173490194

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-tris[[methyl-bis(trimethylsilyloxy)silyl]oxy]silylhex-2-enoic acid?
The IUPAC name of 2-methyl-6-tris[[methyl-bis(trimethylsilyloxy)silyl]oxy]silylhex-2-enoic acid (CID 57280861) is 2-methyl-6-tris[[methyl-bis(trimethylsilyloxy)silyl]oxy]silylhex-2-enoic acid.
What is the SMILES notation for 2-methyl-6-tris[[methyl-bis(trimethylsilyloxy)silyl]oxy]silylhex-2-enoic acid?
The canonical SMILES for 2-methyl-6-tris[[methyl-bis(trimethylsilyloxy)silyl]oxy]silylhex-2-enoic acid is CC(=CCCC[Si](O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O.
What is the InChIKey of 2-methyl-6-tris[[methyl-bis(trimethylsilyloxy)silyl]oxy]silylhex-2-enoic acid?
The InChIKey is KLNKQCDINBOLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H74O11Si10/c1-27(28(29)30)25-23-24-26-49(37-46(20,31-40(2,3)4)32-41(5,6)7,38-47(21,33-42(8,9)10)34-43(11,12)13)39-48(22,35-44(14,15)16)36-45(17,18)19/h25H,23-24,26H2,1-22H3,(H,29,30).
What are the key properties of 2-methyl-6-tris[[methyl-bis(trimethylsilyloxy)silyl]oxy]silylhex-2-enoic acid?
2-methyl-6-tris[[methyl-bis(trimethylsilyloxy)silyl]oxy]silylhex-2-enoic acid has a molecular weight of 867.75 g/mol, XLogP of 9.60, 23 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-tris[[methyl-bis(trimethylsilyloxy)silyl]oxy]silylhex-2-enoic acid is sourced from PubChem (CID 57280861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).