2-(triethylsilyloxymethyl)but-3-en-1-ol

C11H24O2Si — CID 86052132

IUPAC2-(triethylsilyloxymethyl)but-3-en-1-ol
SMILESC=CC(CO)CO[Si](CC)(CC)CC
InChIInChI=1S/C11H24O2Si/c1-5-11(9-12)10-13-14(6-2,7-3)8-4/h5,11-12H,1,6-10H2,2-4H3
InChIKeyMDFATUYBDFAGCB-UHFFFAOYSA-N
MW216.40 g/mol
LogP2.80
Rot. Bonds8

About 2-(triethylsilyloxymethyl)but-3-en-1-ol

2-(triethylsilyloxymethyl)but-3-en-1-ol (PubChem CID 86052132) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is 2-(triethylsilyloxymethyl)but-3-en-1-ol.

Molecular Properties

Compound Name2-(triethylsilyloxymethyl)but-3-en-1-ol
PubChem CID86052132
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name2-(triethylsilyloxymethyl)but-3-en-1-ol
SMILESC=CC(CO)CO[Si](CC)(CC)CC
InChIInChI=1S/C11H24O2Si/c1-5-11(9-12)10-13-14(6-2,7-3)8-4/h5,11-12H,1,6-10H2,2-4H3
InChIKeyMDFATUYBDFAGCB-UHFFFAOYSA-N
XLogP2.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(triethylsilyloxymethyl)but-3-en-1-ol?
The IUPAC name of 2-(triethylsilyloxymethyl)but-3-en-1-ol (CID 86052132) is 2-(triethylsilyloxymethyl)but-3-en-1-ol.
What is the SMILES notation for 2-(triethylsilyloxymethyl)but-3-en-1-ol?
The canonical SMILES for 2-(triethylsilyloxymethyl)but-3-en-1-ol is C=CC(CO)CO[Si](CC)(CC)CC.
What is the InChIKey of 2-(triethylsilyloxymethyl)but-3-en-1-ol?
The InChIKey is MDFATUYBDFAGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-5-11(9-12)10-13-14(6-2,7-3)8-4/h5,11-12H,1,6-10H2,2-4H3.
What are the key properties of 2-(triethylsilyloxymethyl)but-3-en-1-ol?
2-(triethylsilyloxymethyl)but-3-en-1-ol has a molecular weight of 216.40 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triethylsilyloxymethyl)but-3-en-1-ol is sourced from PubChem (CID 86052132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).