3-[1,1-bis[tert-butyl(dimethyl)silyl]prop-2-enoxy]propane-1,2-diol

C18H40O3Si2 — CID 22137831

IUPAC3-[1,1-bis[tert-butyl(dimethyl)silyl]prop-2-enoxy]propane-1,2-diol
SMILESC=CC(OCC(O)CO)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-12-18(21-14-15(20)13-19,22(8,9)16(2,3)4)23(10,11)17(5,6)7/h12,15,19-20H,1,13-14H2,2-11H3
InChIKeyYREQKTQVMCZNFR-UHFFFAOYSA-N
MW360.69 g/mol
LogP4.38
Rot. Bonds7

About 3-[1,1-bis[tert-butyl(dimethyl)silyl]prop-2-enoxy]propane-1,2-diol

3-[1,1-bis[tert-butyl(dimethyl)silyl]prop-2-enoxy]propane-1,2-diol (PubChem CID 22137831) has the molecular formula C18H40O3Si2 and a molecular weight of 360.69 g/mol. Its IUPAC name is 3-[1,1-bis[tert-butyl(dimethyl)silyl]prop-2-enoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[1,1-bis[tert-butyl(dimethyl)silyl]prop-2-enoxy]propane-1,2-diol
PubChem CID22137831
Molecular FormulaC18H40O3Si2
Molecular Weight360.69 g/mol
Exact Mass360.25
IUPAC Name3-[1,1-bis[tert-butyl(dimethyl)silyl]prop-2-enoxy]propane-1,2-diol
SMILESC=CC(OCC(O)CO)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-12-18(21-14-15(20)13-19,22(8,9)16(2,3)4)23(10,11)17(5,6)7/h12,15,19-20H,1,13-14H2,2-11H3
InChIKeyYREQKTQVMCZNFR-UHFFFAOYSA-N
XLogP4.38
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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[tert-butyl(dimethyl)silyl]prop-2-enoxy]propane-1,2-diol?
The IUPAC name of 3-[1,1-bis[tert-butyl(dimethyl)silyl]prop-2-enoxy]propane-1,2-diol (CID 22137831) is 3-[1,1-bis[tert-butyl(dimethyl)silyl]prop-2-enoxy]propane-1,2-diol.
What is the SMILES notation for 3-[1,1-bis[tert-butyl(dimethyl)silyl]prop-2-enoxy]propane-1,2-diol?
The canonical SMILES for 3-[1,1-bis[tert-butyl(dimethyl)silyl]prop-2-enoxy]propane-1,2-diol is C=CC(OCC(O)CO)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[1,1-bis[tert-butyl(dimethyl)silyl]prop-2-enoxy]propane-1,2-diol?
The InChIKey is YREQKTQVMCZNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O3Si2/c1-12-18(21-14-15(20)13-19,22(8,9)16(2,3)4)23(10,11)17(5,6)7/h12,15,19-20H,1,13-14H2,2-11H3.
What are the key properties of 3-[1,1-bis[tert-butyl(dimethyl)silyl]prop-2-enoxy]propane-1,2-diol?
3-[1,1-bis[tert-butyl(dimethyl)silyl]prop-2-enoxy]propane-1,2-diol has a molecular weight of 360.69 g/mol, XLogP of 4.38, 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[tert-butyl(dimethyl)silyl]prop-2-enoxy]propane-1,2-diol is sourced from PubChem (CID 22137831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).