3-[1,1-bis(trimethylsilyl)prop-2-enoxy]propane-1,2-diol

C12H28O3Si2 — CID 87616479

IUPAC3-[1,1-bis(trimethylsilyl)prop-2-enoxy]propane-1,2-diol
SMILESC=CC(OCC(O)CO)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-8-12(16(2,3)4,17(5,6)7)15-10-11(14)9-13/h8,11,13-14H,1,9-10H2,2-7H3
InChIKeyZULYXWVQMLHCOY-UHFFFAOYSA-N
MW276.52 g/mol
LogP2.04
Rot. Bonds7

About 3-[1,1-bis(trimethylsilyl)prop-2-enoxy]propane-1,2-diol

3-[1,1-bis(trimethylsilyl)prop-2-enoxy]propane-1,2-diol (PubChem CID 87616479) has the molecular formula C12H28O3Si2 and a molecular weight of 276.52 g/mol. Its IUPAC name is 3-[1,1-bis(trimethylsilyl)prop-2-enoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[1,1-bis(trimethylsilyl)prop-2-enoxy]propane-1,2-diol
PubChem CID87616479
Molecular FormulaC12H28O3Si2
Molecular Weight276.52 g/mol
Exact Mass276.16
IUPAC Name3-[1,1-bis(trimethylsilyl)prop-2-enoxy]propane-1,2-diol
SMILESC=CC(OCC(O)CO)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-8-12(16(2,3)4,17(5,6)7)15-10-11(14)9-13/h8,11,13-14H,1,9-10H2,2-7H3
InChIKeyZULYXWVQMLHCOY-UHFFFAOYSA-N
XLogP2.04
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.52
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylbut-3-en-2-yloxy)propane-1,2-diol
CID 171441788
3-[2-(2,3-dihydroxypropoxy)propan-2-yloxy]propane-1,2-diol
CID 22994800
dimethoxymethane;3-prop-2-enylperoxypropane-1,2-diol
CID 174423077
bis(ethenyl)-dimethylsilane;ethenoxyethene;propane-1,2,3-triol
CID 174900459
2,2,2-tris(2,3-dihydroxypropoxy)acetic acid
CID 88705292
methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121
2,3-dihydroxypropyl hypobromite
CID 23618335
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
2,3-dihydroxypropoxy-dimethyl-prop-2-enylazanium
CID 87816797
ethene;propane;propane-1,2,3-triol
CID 87089727
(2S,4S)-2-(trifluoromethyl)-5-(2-trimethylsilylpropan-2-yloxy)pentane-1,4-diol
CID 23236652
3-methoxypropane-1,2-diol;dihydrochloride
CID 87908148

Frequently Asked Questions

What is the IUPAC name of 3-[1,1-bis(trimethylsilyl)prop-2-enoxy]propane-1,2-diol?
The IUPAC name of 3-[1,1-bis(trimethylsilyl)prop-2-enoxy]propane-1,2-diol (CID 87616479) is 3-[1,1-bis(trimethylsilyl)prop-2-enoxy]propane-1,2-diol.
What is the SMILES notation for 3-[1,1-bis(trimethylsilyl)prop-2-enoxy]propane-1,2-diol?
The canonical SMILES for 3-[1,1-bis(trimethylsilyl)prop-2-enoxy]propane-1,2-diol is C=CC(OCC(O)CO)([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 3-[1,1-bis(trimethylsilyl)prop-2-enoxy]propane-1,2-diol?
The InChIKey is ZULYXWVQMLHCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3Si2/c1-8-12(16(2,3)4,17(5,6)7)15-10-11(14)9-13/h8,11,13-14H,1,9-10H2,2-7H3.
What are the key properties of 3-[1,1-bis(trimethylsilyl)prop-2-enoxy]propane-1,2-diol?
3-[1,1-bis(trimethylsilyl)prop-2-enoxy]propane-1,2-diol has a molecular weight of 276.52 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,1-bis(trimethylsilyl)prop-2-enoxy]propane-1,2-diol is sourced from PubChem (CID 87616479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).