2-methylprop-2-enoic acid;6-[methyl(trimethylsilyloxy)silyl]-3-(2-trimethylsilylethyl)hexane-1,2,3-triol

C19H44O6Si3 — CID 157170433

IUPAC2-methylprop-2-enoic acid;6-[methyl(trimethylsilyloxy)silyl]-3-(2-trimethylsilylethyl)hexane-1,2,3-triol
SMILESC=C(C)C(=O)O.C[SiH](CCCC(O)(CC[Si](C)(C)C)C(O)CO)O[Si](C)(C)C
InChIInChI=1S/C15H38O4Si3.C4H6O2/c1-20(19-22(5,6)7)11-8-9-15(18,14(17)13-16)10-12-21(2,3)4;1-3(2)4(5)6/h14,16-18,20H,8-13H2,1-7H3;1H2,2H3,(H,5,6)
InChIKeyANKBUSKLTJBJCJ-UHFFFAOYSA-N
MW452.81 g/mol
LogP3.43
Rot. Bonds12

About 2-methylprop-2-enoic acid;6-[methyl(trimethylsilyloxy)silyl]-3-(2-trimethylsilylethyl)hexane-1,2,3-triol

2-methylprop-2-enoic acid;6-[methyl(trimethylsilyloxy)silyl]-3-(2-trimethylsilylethyl)hexane-1,2,3-triol (PubChem CID 157170433) has the molecular formula C19H44O6Si3 and a molecular weight of 452.81 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;6-[methyl(trimethylsilyloxy)silyl]-3-(2-trimethylsilylethyl)hexane-1,2,3-triol.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;6-[methyl(trimethylsilyloxy)silyl]-3-(2-trimethylsilylethyl)hexane-1,2,3-triol
PubChem CID157170433
Molecular FormulaC19H44O6Si3
Molecular Weight452.81 g/mol
Exact Mass452.24
IUPAC Name2-methylprop-2-enoic acid;6-[methyl(trimethylsilyloxy)silyl]-3-(2-trimethylsilylethyl)hexane-1,2,3-triol
SMILESC=C(C)C(=O)O.C[SiH](CCCC(O)(CC[Si](C)(C)C)C(O)CO)O[Si](C)(C)C
InChIInChI=1S/C15H38O4Si3.C4H6O2/c1-20(19-22(5,6)7)11-8-9-15(18,14(17)13-16)10-12-21(2,3)4;1-3(2)4(5)6/h14,16-18,20H,8-13H2,1-7H3;1H2,2H3,(H,5,6)
InChIKeyANKBUSKLTJBJCJ-UHFFFAOYSA-N
XLogP3.43
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.81
LogP ≤ 53.43
H-Bond Donors ≤ 54
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-methylprop-2-enoic acid;trimethyl-[methyl(trimethylsilyloxy)silyl]oxysilane
CID 158276188
2-methylprop-2-enoic acid;3-(3-methylsilylpropoxy)-3,3-bis(trimethylsilyloxy)propane-1,2-diol
CID 175064821
bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol)
CID 173141679
2-methylprop-2-enoic acid;hexakis(propane-1,2-diol)
CID 172778352
2,6-dimethyl-4-[methyl(trimethylsilyloxy)silyl]-4-propylhepta-1,6-diene-3,5-dione
CID 123150910
bis(2-methylprop-2-enoic acid);octane-1,8-diol
CID 87149429
aminomethanol;2-methylprop-2-enoic acid
CID 122684678
ethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol
CID 173026059
2-ethylbutane-1,2,3-triol;tris(2-methylprop-2-enoic acid)
CID 173331199
(4S)-3,3,4,5-tetrahydroxypentan-2-one
CID 102208371
2-[2-[methyl(trimethylsilyloxy)silyl]ethyl]hept-2-enoic acid
CID 173349939
2-methylprop-2-enoic acid;propane-1,3-diol;bis(prop-2-enoic acid)
CID 162080940

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;6-[methyl(trimethylsilyloxy)silyl]-3-(2-trimethylsilylethyl)hexane-1,2,3-triol?
The IUPAC name of 2-methylprop-2-enoic acid;6-[methyl(trimethylsilyloxy)silyl]-3-(2-trimethylsilylethyl)hexane-1,2,3-triol (CID 157170433) is 2-methylprop-2-enoic acid;6-[methyl(trimethylsilyloxy)silyl]-3-(2-trimethylsilylethyl)hexane-1,2,3-triol.
What is the SMILES notation for 2-methylprop-2-enoic acid;6-[methyl(trimethylsilyloxy)silyl]-3-(2-trimethylsilylethyl)hexane-1,2,3-triol?
The canonical SMILES for 2-methylprop-2-enoic acid;6-[methyl(trimethylsilyloxy)silyl]-3-(2-trimethylsilylethyl)hexane-1,2,3-triol is C=C(C)C(=O)O.C[SiH](CCCC(O)(CC[Si](C)(C)C)C(O)CO)O[Si](C)(C)C.
What is the InChIKey of 2-methylprop-2-enoic acid;6-[methyl(trimethylsilyloxy)silyl]-3-(2-trimethylsilylethyl)hexane-1,2,3-triol?
The InChIKey is ANKBUSKLTJBJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H38O4Si3.C4H6O2/c1-20(19-22(5,6)7)11-8-9-15(18,14(17)13-16)10-12-21(2,3)4;1-3(2)4(5)6/h14,16-18,20H,8-13H2,1-7H3;1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;6-[methyl(trimethylsilyloxy)silyl]-3-(2-trimethylsilylethyl)hexane-1,2,3-triol?
2-methylprop-2-enoic acid;6-[methyl(trimethylsilyloxy)silyl]-3-(2-trimethylsilylethyl)hexane-1,2,3-triol has a molecular weight of 452.81 g/mol, XLogP of 3.43, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;6-[methyl(trimethylsilyloxy)silyl]-3-(2-trimethylsilylethyl)hexane-1,2,3-triol is sourced from PubChem (CID 157170433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).