acetic acid;4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol

C13H28O4Si — CID 71342470

IUPACacetic acid;4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol
SMILESCC(=CCO)CO[Si](C)(C)C(C)(C)C.CC(=O)O
InChIInChI=1S/C11H24O2Si.C2H4O2/c1-10(7-8-12)9-13-14(5,6)11(2,3)4;1-2(3)4/h7,12H,8-9H2,1-6H3;1H3,(H,3,4)
InChIKeyXTOLOHZZPILKDJ-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.04
Rot. Bonds4

About acetic acid;4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol

acetic acid;4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol (PubChem CID 71342470) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is acetic acid;4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol.

Molecular Properties

Compound Nameacetic acid;4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol
PubChem CID71342470
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Nameacetic acid;4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol
SMILESCC(=CCO)CO[Si](C)(C)C(C)(C)C.CC(=O)O
InChIInChI=1S/C11H24O2Si.C2H4O2/c1-10(7-8-12)9-13-14(5,6)11(2,3)4;1-2(3)4/h7,12H,8-9H2,1-6H3;1H3,(H,3,4)
InChIKeyXTOLOHZZPILKDJ-UHFFFAOYSA-N
XLogP3.04
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 acetic acid;4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol?
The IUPAC name of acetic acid;4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol (CID 71342470) is acetic acid;4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol.
What is the SMILES notation for acetic acid;4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol?
The canonical SMILES for acetic acid;4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol is CC(=CCO)CO[Si](C)(C)C(C)(C)C.CC(=O)O.
What is the InChIKey of acetic acid;4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol?
The InChIKey is XTOLOHZZPILKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si.C2H4O2/c1-10(7-8-12)9-13-14(5,6)11(2,3)4;1-2(3)4/h7,12H,8-9H2,1-6H3;1H3,(H,3,4).
What are the key properties of acetic acid;4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol?
acetic acid;4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol has a molecular weight of 276.45 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol is sourced from PubChem (CID 71342470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).