2-methylprop-2-enoic acid;3-(3-methylsilylpropoxy)-3,3-bis(trimethylsilyloxy)propane-1,2-diol

C17H40O7Si3 — CID 175064821

IUPAC2-methylprop-2-enoic acid;3-(3-methylsilylpropoxy)-3,3-bis(trimethylsilyloxy)propane-1,2-diol
SMILESC=C(C)C(=O)O.C[SiH2]CCCOC(O[Si](C)(C)C)(O[Si](C)(C)C)C(O)CO
InChIInChI=1S/C13H34O5Si3.C4H6O2/c1-19-10-8-9-16-13(12(15)11-14,17-20(2,3)4)18-21(5,6)7;1-3(2)4(5)6/h12,14-15H,8-11,19H2,1-7H3;1H2,2H3,(H,5,6)
InChIKeyWVHARDKQBGMWAX-UHFFFAOYSA-N
MW440.76 g/mol
LogP2.39
Rot. Bonds12

About 2-methylprop-2-enoic acid;3-(3-methylsilylpropoxy)-3,3-bis(trimethylsilyloxy)propane-1,2-diol

2-methylprop-2-enoic acid;3-(3-methylsilylpropoxy)-3,3-bis(trimethylsilyloxy)propane-1,2-diol (PubChem CID 175064821) has the molecular formula C17H40O7Si3 and a molecular weight of 440.76 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;3-(3-methylsilylpropoxy)-3,3-bis(trimethylsilyloxy)propane-1,2-diol.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;3-(3-methylsilylpropoxy)-3,3-bis(trimethylsilyloxy)propane-1,2-diol
PubChem CID175064821
Molecular FormulaC17H40O7Si3
Molecular Weight440.76 g/mol
Exact Mass440.21
IUPAC Name2-methylprop-2-enoic acid;3-(3-methylsilylpropoxy)-3,3-bis(trimethylsilyloxy)propane-1,2-diol
SMILESC=C(C)C(=O)O.C[SiH2]CCCOC(O[Si](C)(C)C)(O[Si](C)(C)C)C(O)CO
InChIInChI=1S/C13H34O5Si3.C4H6O2/c1-19-10-8-9-16-13(12(15)11-14,17-20(2,3)4)18-21(5,6)7;1-3(2)4(5)6/h12,14-15H,8-11,19H2,1-7H3;1H2,2H3,(H,5,6)
InChIKeyWVHARDKQBGMWAX-UHFFFAOYSA-N
XLogP2.39
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.76
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-2-enoic acid;hexakis(propane-1,2-diol)
CID 172778352
bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol)
CID 173141679
2-methylprop-2-enoic acid;6-[methyl(trimethylsilyloxy)silyl]-3-(2-trimethylsilylethyl)hexane-1,2,3-triol
CID 157170433
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-methylprop-2-enoic acid;trimethyl-[methyl(trimethylsilyloxy)silyl]oxysilane
CID 158276188
2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol
CID 159522271
2-methylprop-2-enoic acid;phosphoric acid;propane-1,2,3-triol
CID 122512063
3-chloropropane-1,2-diol;bis(2-methylprop-2-enoic acid)
CID 71431738
butanedioic acid;bis(2-methylprop-2-enoic acid);propane-1,2,3-triol
CID 162197824
hexane-1,2-diol;2-methylprop-2-enoic acid
CID 126599636
but-2-yne-1,4-diol;bis(2-methylprop-2-enoic acid)
CID 88795162

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;3-(3-methylsilylpropoxy)-3,3-bis(trimethylsilyloxy)propane-1,2-diol?
The IUPAC name of 2-methylprop-2-enoic acid;3-(3-methylsilylpropoxy)-3,3-bis(trimethylsilyloxy)propane-1,2-diol (CID 175064821) is 2-methylprop-2-enoic acid;3-(3-methylsilylpropoxy)-3,3-bis(trimethylsilyloxy)propane-1,2-diol.
What is the SMILES notation for 2-methylprop-2-enoic acid;3-(3-methylsilylpropoxy)-3,3-bis(trimethylsilyloxy)propane-1,2-diol?
The canonical SMILES for 2-methylprop-2-enoic acid;3-(3-methylsilylpropoxy)-3,3-bis(trimethylsilyloxy)propane-1,2-diol is C=C(C)C(=O)O.C[SiH2]CCCOC(O[Si](C)(C)C)(O[Si](C)(C)C)C(O)CO.
What is the InChIKey of 2-methylprop-2-enoic acid;3-(3-methylsilylpropoxy)-3,3-bis(trimethylsilyloxy)propane-1,2-diol?
The InChIKey is WVHARDKQBGMWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H34O5Si3.C4H6O2/c1-19-10-8-9-16-13(12(15)11-14,17-20(2,3)4)18-21(5,6)7;1-3(2)4(5)6/h12,14-15H,8-11,19H2,1-7H3;1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;3-(3-methylsilylpropoxy)-3,3-bis(trimethylsilyloxy)propane-1,2-diol?
2-methylprop-2-enoic acid;3-(3-methylsilylpropoxy)-3,3-bis(trimethylsilyloxy)propane-1,2-diol has a molecular weight of 440.76 g/mol, XLogP of 2.39, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;3-(3-methylsilylpropoxy)-3,3-bis(trimethylsilyloxy)propane-1,2-diol is sourced from PubChem (CID 175064821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).