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

C18H40O3Si2 — CID 22137804

IUPAC3-[1,1-bis(triethylsilyl)prop-2-enoxy]propane-1,2-diol
SMILESC=CC(OCC(O)CO)([Si](CC)(CC)CC)[Si](CC)(CC)CC
InChIInChI=1S/C18H40O3Si2/c1-8-18(21-16-17(20)15-19,22(9-2,10-3)11-4)23(12-5,13-6)14-7/h8,17,19-20H,1,9-16H2,2-7H3
InChIKeyCBHSFOHZXSJBBC-UHFFFAOYSA-N
MW360.69 g/mol
LogP4.38
Rot. Bonds13

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

3-[1,1-bis(triethylsilyl)prop-2-enoxy]propane-1,2-diol (PubChem CID 22137804) has the molecular formula C18H40O3Si2 and a molecular weight of 360.69 g/mol. Its IUPAC name is 3-[1,1-bis(triethylsilyl)prop-2-enoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[1,1-bis(triethylsilyl)prop-2-enoxy]propane-1,2-diol
PubChem CID22137804
Molecular FormulaC18H40O3Si2
Molecular Weight360.69 g/mol
Exact Mass360.25
IUPAC Name3-[1,1-bis(triethylsilyl)prop-2-enoxy]propane-1,2-diol
SMILESC=CC(OCC(O)CO)([Si](CC)(CC)CC)[Si](CC)(CC)CC
InChIInChI=1S/C18H40O3Si2/c1-8-18(21-16-17(20)15-19,22(9-2,10-3)11-4)23(12-5,13-6)14-7/h8,17,19-20H,1,9-16H2,2-7H3
InChIKeyCBHSFOHZXSJBBC-UHFFFAOYSA-N
XLogP4.38
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.69
LogP ≤ 54.38
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(triethylsilyl)prop-2-enoxy]propane-1,2-diol?
The IUPAC name of 3-[1,1-bis(triethylsilyl)prop-2-enoxy]propane-1,2-diol (CID 22137804) is 3-[1,1-bis(triethylsilyl)prop-2-enoxy]propane-1,2-diol.
What is the SMILES notation for 3-[1,1-bis(triethylsilyl)prop-2-enoxy]propane-1,2-diol?
The canonical SMILES for 3-[1,1-bis(triethylsilyl)prop-2-enoxy]propane-1,2-diol is C=CC(OCC(O)CO)([Si](CC)(CC)CC)[Si](CC)(CC)CC.
What is the InChIKey of 3-[1,1-bis(triethylsilyl)prop-2-enoxy]propane-1,2-diol?
The InChIKey is CBHSFOHZXSJBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O3Si2/c1-8-18(21-16-17(20)15-19,22(9-2,10-3)11-4)23(12-5,13-6)14-7/h8,17,19-20H,1,9-16H2,2-7H3.
What are the key properties of 3-[1,1-bis(triethylsilyl)prop-2-enoxy]propane-1,2-diol?
3-[1,1-bis(triethylsilyl)prop-2-enoxy]propane-1,2-diol has a molecular weight of 360.69 g/mol, XLogP of 4.38, 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(triethylsilyl)prop-2-enoxy]propane-1,2-diol is sourced from PubChem (CID 22137804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).