prop-2-enoic acid;3-propoxy-3-tris(trimethylsilyloxy)silylpropane-1,2-diol

C18H44O8Si4 — CID 87223354

IUPACprop-2-enoic acid;3-propoxy-3-tris(trimethylsilyloxy)silylpropane-1,2-diol
SMILESC=CC(=O)O.CCCOC(C(O)CO)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H40O6Si4.C3H4O2/c1-11-12-18-15(14(17)13-16)25(19-22(2,3)4,20-23(5,6)7)21-24(8,9)10;1-2-3(4)5/h14-17H,11-13H2,1-10H3;2H,1H2,(H,4,5)
InChIKeyTWDPGUYGRQAOHG-UHFFFAOYSA-N
MW500.89 g/mol
LogP3.42
Rot. Bonds13

About prop-2-enoic acid;3-propoxy-3-tris(trimethylsilyloxy)silylpropane-1,2-diol

prop-2-enoic acid;3-propoxy-3-tris(trimethylsilyloxy)silylpropane-1,2-diol (PubChem CID 87223354) has the molecular formula C18H44O8Si4 and a molecular weight of 500.89 g/mol. Its IUPAC name is prop-2-enoic acid;3-propoxy-3-tris(trimethylsilyloxy)silylpropane-1,2-diol.

Molecular Properties

Compound Nameprop-2-enoic acid;3-propoxy-3-tris(trimethylsilyloxy)silylpropane-1,2-diol
PubChem CID87223354
Molecular FormulaC18H44O8Si4
Molecular Weight500.89 g/mol
Exact Mass500.21
IUPAC Nameprop-2-enoic acid;3-propoxy-3-tris(trimethylsilyloxy)silylpropane-1,2-diol
SMILESC=CC(=O)O.CCCOC(C(O)CO)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H40O6Si4.C3H4O2/c1-11-12-18-15(14(17)13-16)25(19-22(2,3)4,20-23(5,6)7)21-24(8,9)10;1-2-3(4)5/h14-17H,11-13H2,1-10H3;2H,1H2,(H,4,5)
InChIKeyTWDPGUYGRQAOHG-UHFFFAOYSA-N
XLogP3.42
TPSA114.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.89
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

tetrakis((2S,3R)-butane-1,2,3,4-tetrol);[(2S,3R)-1,4-dihydroxy-3-propoxybutan-2-yl] prop-2-enoate;bis(prop-2-enoic acid)
CID 172699455
(2S,3R)-butane-1,2,3,4-tetrol;hexakis(prop-2-enoic acid)
CID 173101486
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;bis(prop-2-enoic acid)
CID 175773611
(2,3-dihydroxy-1-trimethylsilylpropyl) prop-2-enoate
CID 175874420
propane-1,2,3-triol;bis(prop-2-enoic acid);2-propoxyprop-2-enoic acid
CID 173025781
propan-1-ol;tetrakis(prop-2-enoic acid)
CID 158521080
ethanol;prop-2-enoic acid
CID 159350313
1-propoxypropane-1,2,3-triol
CID 19757638
(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-propoxyhexanamide
CID 89427404
1-(2-hydroxyethoxy)butan-2-ol;prop-2-enoic acid
CID 87077863
2-ethylpropane-1,3-diol;bis(prop-2-enoic acid)
CID 87649456
bis(butane-1,1-diol);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;bis(prop-2-enoic acid)
CID 158001200

Frequently Asked Questions

What is the IUPAC name of prop-2-enoic acid;3-propoxy-3-tris(trimethylsilyloxy)silylpropane-1,2-diol?
The IUPAC name of prop-2-enoic acid;3-propoxy-3-tris(trimethylsilyloxy)silylpropane-1,2-diol (CID 87223354) is prop-2-enoic acid;3-propoxy-3-tris(trimethylsilyloxy)silylpropane-1,2-diol.
What is the SMILES notation for prop-2-enoic acid;3-propoxy-3-tris(trimethylsilyloxy)silylpropane-1,2-diol?
The canonical SMILES for prop-2-enoic acid;3-propoxy-3-tris(trimethylsilyloxy)silylpropane-1,2-diol is C=CC(=O)O.CCCOC(C(O)CO)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of prop-2-enoic acid;3-propoxy-3-tris(trimethylsilyloxy)silylpropane-1,2-diol?
The InChIKey is TWDPGUYGRQAOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H40O6Si4.C3H4O2/c1-11-12-18-15(14(17)13-16)25(19-22(2,3)4,20-23(5,6)7)21-24(8,9)10;1-2-3(4)5/h14-17H,11-13H2,1-10H3;2H,1H2,(H,4,5).
What are the key properties of prop-2-enoic acid;3-propoxy-3-tris(trimethylsilyloxy)silylpropane-1,2-diol?
prop-2-enoic acid;3-propoxy-3-tris(trimethylsilyloxy)silylpropane-1,2-diol has a molecular weight of 500.89 g/mol, XLogP of 3.42, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoic acid;3-propoxy-3-tris(trimethylsilyloxy)silylpropane-1,2-diol is sourced from PubChem (CID 87223354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).