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

C24H52O3Si2 — CID 22137828

IUPAC3-[1,1-bis[tri(propan-2-yl)silyl]prop-2-enoxy]propane-1,2-diol
SMILESC=CC(OCC(O)CO)([Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H52O3Si2/c1-14-24(27-16-23(26)15-25,28(17(2)3,18(4)5)19(6)7)29(20(8)9,21(10)11)22(12)13/h14,17-23,25-26H,1,15-16H2,2-13H3
InChIKeyYNOJJAWVHUDVQP-UHFFFAOYSA-N
MW444.85 g/mol
LogP6.72
Rot. Bonds13

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

3-[1,1-bis[tri(propan-2-yl)silyl]prop-2-enoxy]propane-1,2-diol (PubChem CID 22137828) has the molecular formula C24H52O3Si2 and a molecular weight of 444.85 g/mol. Its IUPAC name is 3-[1,1-bis[tri(propan-2-yl)silyl]prop-2-enoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[1,1-bis[tri(propan-2-yl)silyl]prop-2-enoxy]propane-1,2-diol
PubChem CID22137828
Molecular FormulaC24H52O3Si2
Molecular Weight444.85 g/mol
Exact Mass444.35
IUPAC Name3-[1,1-bis[tri(propan-2-yl)silyl]prop-2-enoxy]propane-1,2-diol
SMILESC=CC(OCC(O)CO)([Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H52O3Si2/c1-14-24(27-16-23(26)15-25,28(17(2)3,18(4)5)19(6)7)29(20(8)9,21(10)11)22(12)13/h14,17-23,25-26H,1,15-16H2,2-13H3
InChIKeyYNOJJAWVHUDVQP-UHFFFAOYSA-N
XLogP6.72
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.85
LogP ≤ 56.72
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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Frequently Asked Questions

What is the IUPAC name of 3-[1,1-bis[tri(propan-2-yl)silyl]prop-2-enoxy]propane-1,2-diol?
The IUPAC name of 3-[1,1-bis[tri(propan-2-yl)silyl]prop-2-enoxy]propane-1,2-diol (CID 22137828) is 3-[1,1-bis[tri(propan-2-yl)silyl]prop-2-enoxy]propane-1,2-diol.
What is the SMILES notation for 3-[1,1-bis[tri(propan-2-yl)silyl]prop-2-enoxy]propane-1,2-diol?
The canonical SMILES for 3-[1,1-bis[tri(propan-2-yl)silyl]prop-2-enoxy]propane-1,2-diol is C=CC(OCC(O)CO)([Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-[1,1-bis[tri(propan-2-yl)silyl]prop-2-enoxy]propane-1,2-diol?
The InChIKey is YNOJJAWVHUDVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52O3Si2/c1-14-24(27-16-23(26)15-25,28(17(2)3,18(4)5)19(6)7)29(20(8)9,21(10)11)22(12)13/h14,17-23,25-26H,1,15-16H2,2-13H3.
What are the key properties of 3-[1,1-bis[tri(propan-2-yl)silyl]prop-2-enoxy]propane-1,2-diol?
3-[1,1-bis[tri(propan-2-yl)silyl]prop-2-enoxy]propane-1,2-diol has a molecular weight of 444.85 g/mol, XLogP of 6.72, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,1-bis[tri(propan-2-yl)silyl]prop-2-enoxy]propane-1,2-diol is sourced from PubChem (CID 22137828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).