2-[tert-butyl(dimethyl)silyl]oxypropane-1,3-diol

C9H22O3Si — CID 11481169

IUPAC2-[tert-butyl(dimethyl)silyl]oxypropane-1,3-diol
SMILESCC(C)(C)[Si](C)(C)OC(CO)CO
InChIInChI=1S/C9H22O3Si/c1-9(2,3)13(4,5)12-8(6-10)7-11/h8,10-11H,6-7H2,1-5H3
InChIKeyMRDHLKVAYGFKCI-UHFFFAOYSA-N
MW206.36 g/mol
LogP1.36
Rot. Bonds4

About 2-[tert-butyl(dimethyl)silyl]oxypropane-1,3-diol

2-[tert-butyl(dimethyl)silyl]oxypropane-1,3-diol (PubChem CID 11481169) has the molecular formula C9H22O3Si and a molecular weight of 206.36 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxypropane-1,3-diol.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxypropane-1,3-diol
PubChem CID11481169
Molecular FormulaC9H22O3Si
Molecular Weight206.36 g/mol
Exact Mass206.13
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxypropane-1,3-diol
SMILESCC(C)(C)[Si](C)(C)OC(CO)CO
InChIInChI=1S/C9H22O3Si/c1-9(2,3)13(4,5)12-8(6-10)7-11/h8,10-11H,6-7H2,1-5H3
InChIKeyMRDHLKVAYGFKCI-UHFFFAOYSA-N
XLogP1.36
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxypropane-1,3-diol?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxypropane-1,3-diol (CID 11481169) is 2-[tert-butyl(dimethyl)silyl]oxypropane-1,3-diol.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxypropane-1,3-diol?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxypropane-1,3-diol is CC(C)(C)[Si](C)(C)OC(CO)CO.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxypropane-1,3-diol?
The InChIKey is MRDHLKVAYGFKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3Si/c1-9(2,3)13(4,5)12-8(6-10)7-11/h8,10-11H,6-7H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxypropane-1,3-diol?
2-[tert-butyl(dimethyl)silyl]oxypropane-1,3-diol has a molecular weight of 206.36 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxypropane-1,3-diol is sourced from PubChem (CID 11481169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).