2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylbut-2-en-1-ol

C13H28O2Si — CID 101420162

IUPAC2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylbut-2-en-1-ol
SMILESCC(C)=C(CO)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-11(2)12(10-14)8-9-15-16(6,7)13(3,4)5/h14H,8-10H2,1-7H3
InChIKeyZKGVUGDPLPZMHZ-UHFFFAOYSA-N
MW244.45 g/mol
LogP3.73
Rot. Bonds5

About 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylbut-2-en-1-ol

2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylbut-2-en-1-ol (PubChem CID 101420162) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylbut-2-en-1-ol.

Molecular Properties

Compound Name2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylbut-2-en-1-ol
PubChem CID101420162
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylbut-2-en-1-ol
SMILESCC(C)=C(CO)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-11(2)12(10-14)8-9-15-16(6,7)13(3,4)5/h14H,8-10H2,1-7H3
InChIKeyZKGVUGDPLPZMHZ-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.73
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-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylbut-2-en-1-ol?
The IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylbut-2-en-1-ol (CID 101420162) is 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylbut-2-en-1-ol.
What is the SMILES notation for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylbut-2-en-1-ol?
The canonical SMILES for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylbut-2-en-1-ol is CC(C)=C(CO)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylbut-2-en-1-ol?
The InChIKey is ZKGVUGDPLPZMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-11(2)12(10-14)8-9-15-16(6,7)13(3,4)5/h14H,8-10H2,1-7H3.
What are the key properties of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylbut-2-en-1-ol?
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylbut-2-en-1-ol has a molecular weight of 244.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylbut-2-en-1-ol is sourced from PubChem (CID 101420162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).