3-[1,2-bis[tri(propan-2-yl)silyl]ethenoxy]propane-1,2-diol

C23H50O3Si2 — CID 87616271

IUPAC3-[1,2-bis[tri(propan-2-yl)silyl]ethenoxy]propane-1,2-diol
SMILESCC(C)[Si](C=C(OCC(O)CO)[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H50O3Si2/c1-16(2)27(17(3)4,18(5)6)15-23(26-14-22(25)13-24)28(19(7)8,20(9)10)21(11)12/h15-22,24-25H,13-14H2,1-12H3
InChIKeySBOOOWWCKQEMSC-UHFFFAOYSA-N
MW430.82 g/mol
LogP6.68
Rot. Bonds12

About 3-[1,2-bis[tri(propan-2-yl)silyl]ethenoxy]propane-1,2-diol

3-[1,2-bis[tri(propan-2-yl)silyl]ethenoxy]propane-1,2-diol (PubChem CID 87616271) has the molecular formula C23H50O3Si2 and a molecular weight of 430.82 g/mol. Its IUPAC name is 3-[1,2-bis[tri(propan-2-yl)silyl]ethenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[1,2-bis[tri(propan-2-yl)silyl]ethenoxy]propane-1,2-diol
PubChem CID87616271
Molecular FormulaC23H50O3Si2
Molecular Weight430.82 g/mol
Exact Mass430.33
IUPAC Name3-[1,2-bis[tri(propan-2-yl)silyl]ethenoxy]propane-1,2-diol
SMILESCC(C)[Si](C=C(OCC(O)CO)[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H50O3Si2/c1-16(2)27(17(3)4,18(5)6)15-23(26-14-22(25)13-24)28(19(7)8,20(9)10)21(11)12/h15-22,24-25H,13-14H2,1-12H3
InChIKeySBOOOWWCKQEMSC-UHFFFAOYSA-N
XLogP6.68
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.82
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

1,3-Bis[3-(2,3-dihydroxypropoxy)propyl]tetramethyldisiloxane
CID 19856298
2-(2-Methoxyethoxy)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propan-1-ol
CID 21037506
3-[1-(2,3-Dihydroxy-3-trimethylsilylpropoxy)-1-trimethylsilylbutan-2-yl]oxy-1-trimethylsilylpropane-1,2-diol
CID 58129909
3-[3-[[[Butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol
CID 59760858
3-[3-[[[3-(2-Hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol
CID 59850393
1,3-Bis[tri(propan-2-yl)silyl]propane-1,2,3-triol
CID 87506083
3-[1,2-Bis(triethylsilyl)ethenoxy]propane-1,2-diol
CID 87615596
3-[1,2-Bis[tert-butyl(dimethyl)silyl]ethenoxy]propane-1,2-diol
CID 87615966
3-[1,2-Bis(trimethylsilyl)ethenoxy]propane-1,2-diol
CID 87616350
3-[1-[1-(2,3-Dihydroxypropoxy)-2,2-bis(trimethylsilyl)ethenoxy]-2,2-bis(trimethylsilyl)ethenoxy]propane-1,2-diol
CID 87616351
3-(2-Triethylsilylethenoxy)propane-1,2-diol
CID 140037616
3-[3-[Ethyl-bis(triethylsilyloxy)silyl]propoxy]propane-1,2-diol
CID 140891429

Frequently Asked Questions

What is the IUPAC name of 3-[1,2-bis[tri(propan-2-yl)silyl]ethenoxy]propane-1,2-diol?
The IUPAC name of 3-[1,2-bis[tri(propan-2-yl)silyl]ethenoxy]propane-1,2-diol (CID 87616271) is 3-[1,2-bis[tri(propan-2-yl)silyl]ethenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[1,2-bis[tri(propan-2-yl)silyl]ethenoxy]propane-1,2-diol?
The canonical SMILES for 3-[1,2-bis[tri(propan-2-yl)silyl]ethenoxy]propane-1,2-diol is CC(C)[Si](C=C(OCC(O)CO)[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-[1,2-bis[tri(propan-2-yl)silyl]ethenoxy]propane-1,2-diol?
The InChIKey is SBOOOWWCKQEMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50O3Si2/c1-16(2)27(17(3)4,18(5)6)15-23(26-14-22(25)13-24)28(19(7)8,20(9)10)21(11)12/h15-22,24-25H,13-14H2,1-12H3.
What are the key properties of 3-[1,2-bis[tri(propan-2-yl)silyl]ethenoxy]propane-1,2-diol?
3-[1,2-bis[tri(propan-2-yl)silyl]ethenoxy]propane-1,2-diol has a molecular weight of 430.82 g/mol, XLogP of 6.68, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,2-bis[tri(propan-2-yl)silyl]ethenoxy]propane-1,2-diol is sourced from PubChem (CID 87616271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).