2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]ethanol

C11H22O2Si — CID 170899780

IUPAC2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]ethanol
SMILESCC(C)(C)[Si](C)(C)C#CCOCCO
InChIInChI=1S/C11H22O2Si/c1-11(2,3)14(4,5)10-6-8-13-9-7-12/h12H,7-9H2,1-5H3
InChIKeyAWQOZKFPJKUWBC-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.05
Rot. Bonds3

About 2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]ethanol

2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]ethanol (PubChem CID 170899780) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]ethanol.

Molecular Properties

Compound Name2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]ethanol
PubChem CID170899780
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]ethanol
SMILESCC(C)(C)[Si](C)(C)C#CCOCCO
InChIInChI=1S/C11H22O2Si/c1-11(2,3)14(4,5)10-6-8-13-9-7-12/h12H,7-9H2,1-5H3
InChIKeyAWQOZKFPJKUWBC-UHFFFAOYSA-N
XLogP2.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]ethanol?
The IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]ethanol (CID 170899780) is 2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]ethanol.
What is the SMILES notation for 2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]ethanol?
The canonical SMILES for 2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]ethanol is CC(C)(C)[Si](C)(C)C#CCOCCO.
What is the InChIKey of 2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]ethanol?
The InChIKey is AWQOZKFPJKUWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-11(2,3)14(4,5)10-6-8-13-9-7-12/h12H,7-9H2,1-5H3.
What are the key properties of 2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]ethanol?
2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]ethanol has a molecular weight of 214.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]ethanol is sourced from PubChem (CID 170899780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).