4-[tert-butyl(dimethyl)silyl]oxy-3-cyclobutylbut-2-en-1-ol

C14H28O2Si — CID 135031454

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3-cyclobutylbut-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC(=CCO)C1CCC1
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-11-13(9-10-15)12-7-6-8-12/h9,12,15H,6-8,10-11H2,1-5H3
InChIKeyHPZHMCQRPYTZDG-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.73
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclobutylbut-2-en-1-ol

4-[tert-butyl(dimethyl)silyl]oxy-3-cyclobutylbut-2-en-1-ol (PubChem CID 135031454) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclobutylbut-2-en-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3-cyclobutylbut-2-en-1-ol
PubChem CID135031454
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3-cyclobutylbut-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC(=CCO)C1CCC1
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-11-13(9-10-15)12-7-6-8-12/h9,12,15H,6-8,10-11H2,1-5H3
InChIKeyHPZHMCQRPYTZDG-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
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 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclobutylbut-2-en-1-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclobutylbut-2-en-1-ol (CID 135031454) is 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclobutylbut-2-en-1-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclobutylbut-2-en-1-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclobutylbut-2-en-1-ol is CC(C)(C)[Si](C)(C)OCC(=CCO)C1CCC1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclobutylbut-2-en-1-ol?
The InChIKey is HPZHMCQRPYTZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-11-13(9-10-15)12-7-6-8-12/h9,12,15H,6-8,10-11H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclobutylbut-2-en-1-ol?
4-[tert-butyl(dimethyl)silyl]oxy-3-cyclobutylbut-2-en-1-ol has a molecular weight of 256.46 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 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclobutylbut-2-en-1-ol is sourced from PubChem (CID 135031454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).