2-[4-bis(trimethylsilyloxy)silyloxysilyl-4-methylpentan-2-yl]-3-cyclohexylbut-2-enedioic acid

C22H46O7Si4 — CID 154372057

IUPAC2-[4-bis(trimethylsilyloxy)silyloxysilyl-4-methylpentan-2-yl]-3-cyclohexylbut-2-enedioic acid
SMILESCC(CC(C)(C)[SiH2]O[SiH](O[Si](C)(C)C)O[Si](C)(C)C)C(C(=O)O)=C(C(=O)O)C1CCCCC1
InChIInChI=1S/C22H46O7Si4/c1-16(18(20(23)24)19(21(25)26)17-13-11-10-12-14-17)15-22(2,3)30-27-31(28-32(4,5)6)29-33(7,8)9/h16-17,31H,10-15,30H2,1-9H3,(H,23,24)(H,25,26)
InChIKeyFVKUHZWKFLRJJX-UHFFFAOYSA-N
MW534.95 g/mol
LogP4.78
Rot. Bonds13

About 2-[4-bis(trimethylsilyloxy)silyloxysilyl-4-methylpentan-2-yl]-3-cyclohexylbut-2-enedioic acid

2-[4-bis(trimethylsilyloxy)silyloxysilyl-4-methylpentan-2-yl]-3-cyclohexylbut-2-enedioic acid (PubChem CID 154372057) has the molecular formula C22H46O7Si4 and a molecular weight of 534.95 g/mol. Its IUPAC name is 2-[4-bis(trimethylsilyloxy)silyloxysilyl-4-methylpentan-2-yl]-3-cyclohexylbut-2-enedioic acid.

Molecular Properties

Compound Name2-[4-bis(trimethylsilyloxy)silyloxysilyl-4-methylpentan-2-yl]-3-cyclohexylbut-2-enedioic acid
PubChem CID154372057
Molecular FormulaC22H46O7Si4
Molecular Weight534.95 g/mol
Exact Mass534.23
IUPAC Name2-[4-bis(trimethylsilyloxy)silyloxysilyl-4-methylpentan-2-yl]-3-cyclohexylbut-2-enedioic acid
SMILESCC(CC(C)(C)[SiH2]O[SiH](O[Si](C)(C)C)O[Si](C)(C)C)C(C(=O)O)=C(C(=O)O)C1CCCCC1
InChIInChI=1S/C22H46O7Si4/c1-16(18(20(23)24)19(21(25)26)17-13-11-10-12-14-17)15-22(2,3)30-27-31(28-32(4,5)6)29-33(7,8)9/h16-17,31H,10-15,30H2,1-9H3,(H,23,24)(H,25,26)
InChIKeyFVKUHZWKFLRJJX-UHFFFAOYSA-N
XLogP4.78
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.95
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2,4-Dimethyl-4-trimethylsilyloxysilyloxysilylpentan-2-yl)-3-(2,2,3,3,4,4,5,5-octafluoropentyl)but-2-enedioic acid
CID 173327176
(Z)-2-cyclohexyl-3-trimethylsilylbut-2-enedioic acid
CID 23200129
2-Cyclohexyl-3-(trimethylsilylmethyl)but-2-enedioic acid
CID 53646914
2-Cyclohexyl-3-[3-tris(trimethylsilyloxy)silylpropyl]but-2-enedioic acid
CID 53757323
2-(2-Ethylhexyl)-3-(3-trimethylsilylpropyl)but-2-enedioic acid
CID 53799278
2-[3-[Dimethyl(trimethylsilyloxy)silyl]propyl]-3-(2-ethylhexyl)but-2-enedioic acid
CID 53930250
2-(2-Ethylhexyl)-3-[3-tris(trimethylsilyloxy)silylpropyl]but-2-enedioic acid
CID 53956922
2-Cyclohexyl-3-trimethylsilylbut-2-enedioic acid
CID 54150399
2-[(1R)-2-[1-[tert-butyl(dimethyl)silyl]pentylidene]cyclohexyl]acetic acid
CID 54441401
2-Cyclohexyl-3-[3-tris[[dimethyl(trimethylsilyloxy)silyl]oxy]silylpropyl]but-2-enedioic acid
CID 54518349
2-Cyclohexyl-3-[1-[2,6,6-trimethyl-2,3-bis(trimethylsilyloxy)oxadisilinan-3-yl]propyl]but-2-enedioic acid
CID 67764245
2-Cyclohexyl-3-[1-(2,2,6,6-tetramethyl-3-trimethylsilyloxyoxadisilinan-3-yl)propyl]but-2-enedioic acid
CID 67764315

Frequently Asked Questions

What is the IUPAC name of 2-[4-bis(trimethylsilyloxy)silyloxysilyl-4-methylpentan-2-yl]-3-cyclohexylbut-2-enedioic acid?
The IUPAC name of 2-[4-bis(trimethylsilyloxy)silyloxysilyl-4-methylpentan-2-yl]-3-cyclohexylbut-2-enedioic acid (CID 154372057) is 2-[4-bis(trimethylsilyloxy)silyloxysilyl-4-methylpentan-2-yl]-3-cyclohexylbut-2-enedioic acid.
What is the SMILES notation for 2-[4-bis(trimethylsilyloxy)silyloxysilyl-4-methylpentan-2-yl]-3-cyclohexylbut-2-enedioic acid?
The canonical SMILES for 2-[4-bis(trimethylsilyloxy)silyloxysilyl-4-methylpentan-2-yl]-3-cyclohexylbut-2-enedioic acid is CC(CC(C)(C)[SiH2]O[SiH](O[Si](C)(C)C)O[Si](C)(C)C)C(C(=O)O)=C(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-[4-bis(trimethylsilyloxy)silyloxysilyl-4-methylpentan-2-yl]-3-cyclohexylbut-2-enedioic acid?
The InChIKey is FVKUHZWKFLRJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O7Si4/c1-16(18(20(23)24)19(21(25)26)17-13-11-10-12-14-17)15-22(2,3)30-27-31(28-32(4,5)6)29-33(7,8)9/h16-17,31H,10-15,30H2,1-9H3,(H,23,24)(H,25,26).
What are the key properties of 2-[4-bis(trimethylsilyloxy)silyloxysilyl-4-methylpentan-2-yl]-3-cyclohexylbut-2-enedioic acid?
2-[4-bis(trimethylsilyloxy)silyloxysilyl-4-methylpentan-2-yl]-3-cyclohexylbut-2-enedioic acid has a molecular weight of 534.95 g/mol, XLogP of 4.78, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bis(trimethylsilyloxy)silyloxysilyl-4-methylpentan-2-yl]-3-cyclohexylbut-2-enedioic acid is sourced from PubChem (CID 154372057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).