3-[tert-butyl(dimethyl)silyl]oxypentane-1,5-diol

C11H26O3Si — CID 10868252

IUPAC3-[tert-butyl(dimethyl)silyl]oxypentane-1,5-diol
SMILESCC(C)(C)[Si](C)(C)OC(CCO)CCO
InChIInChI=1S/C11H26O3Si/c1-11(2,3)15(4,5)14-10(6-8-12)7-9-13/h10,12-13H,6-9H2,1-5H3
InChIKeyFAAJJWSUYATOES-UHFFFAOYSA-N
MW234.41 g/mol
LogP2.14
Rot. Bonds6

About 3-[tert-butyl(dimethyl)silyl]oxypentane-1,5-diol

3-[tert-butyl(dimethyl)silyl]oxypentane-1,5-diol (PubChem CID 10868252) has the molecular formula C11H26O3Si and a molecular weight of 234.41 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxypentane-1,5-diol.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxypentane-1,5-diol
PubChem CID10868252
Molecular FormulaC11H26O3Si
Molecular Weight234.41 g/mol
Exact Mass234.17
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxypentane-1,5-diol
SMILESCC(C)(C)[Si](C)(C)OC(CCO)CCO
InChIInChI=1S/C11H26O3Si/c1-11(2,3)15(4,5)14-10(6-8-12)7-9-13/h10,12-13H,6-9H2,1-5H3
InChIKeyFAAJJWSUYATOES-UHFFFAOYSA-N
XLogP2.14
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 52.14
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 3-[tert-butyl(dimethyl)silyl]oxypentane-1,5-diol?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxypentane-1,5-diol (CID 10868252) is 3-[tert-butyl(dimethyl)silyl]oxypentane-1,5-diol.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxypentane-1,5-diol?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxypentane-1,5-diol is CC(C)(C)[Si](C)(C)OC(CCO)CCO.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxypentane-1,5-diol?
The InChIKey is FAAJJWSUYATOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O3Si/c1-11(2,3)15(4,5)14-10(6-8-12)7-9-13/h10,12-13H,6-9H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxypentane-1,5-diol?
3-[tert-butyl(dimethyl)silyl]oxypentane-1,5-diol has a molecular weight of 234.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxypentane-1,5-diol is sourced from PubChem (CID 10868252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).