3-[1-[1-(2,3-dihydroxypropoxy)-2,2-bis(trimethylsilyl)ethenoxy]-2,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol

C22H50O7Si4 — CID 87616351

IUPAC3-[1-[1-(2,3-dihydroxypropoxy)-2,2-bis(trimethylsilyl)ethenoxy]-2,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol
SMILESC[Si](C)(C)C(=C(OCC(O)CO)OC(OCC(O)CO)=C([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C22H50O7Si4/c1-30(2,3)21(31(4,5)6)19(27-15-17(25)13-23)29-20(28-16-18(26)14-24)22(32(7,8)9)33(10,11)12/h17-18,23-26H,13-16H2,1-12H3
InChIKeyCVZFFJVRWSPKQK-UHFFFAOYSA-N
MW538.98 g/mol
LogP3.68
Rot. Bonds14

About 3-[1-[1-(2,3-dihydroxypropoxy)-2,2-bis(trimethylsilyl)ethenoxy]-2,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol

3-[1-[1-(2,3-dihydroxypropoxy)-2,2-bis(trimethylsilyl)ethenoxy]-2,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol (PubChem CID 87616351) has the molecular formula C22H50O7Si4 and a molecular weight of 538.98 g/mol. Its IUPAC name is 3-[1-[1-(2,3-dihydroxypropoxy)-2,2-bis(trimethylsilyl)ethenoxy]-2,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[1-[1-(2,3-dihydroxypropoxy)-2,2-bis(trimethylsilyl)ethenoxy]-2,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol
PubChem CID87616351
Molecular FormulaC22H50O7Si4
Molecular Weight538.98 g/mol
Exact Mass538.26
IUPAC Name3-[1-[1-(2,3-dihydroxypropoxy)-2,2-bis(trimethylsilyl)ethenoxy]-2,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol
SMILESC[Si](C)(C)C(=C(OCC(O)CO)OC(OCC(O)CO)=C([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C22H50O7Si4/c1-30(2,3)21(31(4,5)6)19(27-15-17(25)13-23)29-20(28-16-18(26)14-24)22(32(7,8)9)33(10,11)12/h17-18,23-26H,13-16H2,1-12H3
InChIKeyCVZFFJVRWSPKQK-UHFFFAOYSA-N
XLogP3.68
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.98
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(2,3-dihydroxypropoxy)-2,2-bis(trimethylsilyl)ethenoxy]-2,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol?
The IUPAC name of 3-[1-[1-(2,3-dihydroxypropoxy)-2,2-bis(trimethylsilyl)ethenoxy]-2,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol (CID 87616351) is 3-[1-[1-(2,3-dihydroxypropoxy)-2,2-bis(trimethylsilyl)ethenoxy]-2,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[1-[1-(2,3-dihydroxypropoxy)-2,2-bis(trimethylsilyl)ethenoxy]-2,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol?
The canonical SMILES for 3-[1-[1-(2,3-dihydroxypropoxy)-2,2-bis(trimethylsilyl)ethenoxy]-2,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol is C[Si](C)(C)C(=C(OCC(O)CO)OC(OCC(O)CO)=C([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 3-[1-[1-(2,3-dihydroxypropoxy)-2,2-bis(trimethylsilyl)ethenoxy]-2,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol?
The InChIKey is CVZFFJVRWSPKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H50O7Si4/c1-30(2,3)21(31(4,5)6)19(27-15-17(25)13-23)29-20(28-16-18(26)14-24)22(32(7,8)9)33(10,11)12/h17-18,23-26H,13-16H2,1-12H3.
What are the key properties of 3-[1-[1-(2,3-dihydroxypropoxy)-2,2-bis(trimethylsilyl)ethenoxy]-2,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol?
3-[1-[1-(2,3-dihydroxypropoxy)-2,2-bis(trimethylsilyl)ethenoxy]-2,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol has a molecular weight of 538.98 g/mol, XLogP of 3.68, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(2,3-dihydroxypropoxy)-2,2-bis(trimethylsilyl)ethenoxy]-2,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol is sourced from PubChem (CID 87616351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).