1-(2-dimethylsilyloxan-2-yl)-4-hydroxybut-2-en-1-one

C11H20O3Si — CID 123142004

IUPAC1-(2-dimethylsilyloxan-2-yl)-4-hydroxybut-2-en-1-one
SMILESC[SiH](C)C1(C(=O)C=CCO)CCCCO1
InChIInChI=1S/C11H20O3Si/c1-15(2)11(7-3-4-9-14-11)10(13)6-5-8-12/h5-6,12,15H,3-4,7-9H2,1-2H3
InChIKeyBTDDIYGFRDDZGP-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.07
Rot. Bonds4

About 1-(2-dimethylsilyloxan-2-yl)-4-hydroxybut-2-en-1-one

1-(2-dimethylsilyloxan-2-yl)-4-hydroxybut-2-en-1-one (PubChem CID 123142004) has the molecular formula C11H20O3Si and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-(2-dimethylsilyloxan-2-yl)-4-hydroxybut-2-en-1-one.

Molecular Properties

Compound Name1-(2-dimethylsilyloxan-2-yl)-4-hydroxybut-2-en-1-one
PubChem CID123142004
Molecular FormulaC11H20O3Si
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Name1-(2-dimethylsilyloxan-2-yl)-4-hydroxybut-2-en-1-one
SMILESC[SiH](C)C1(C(=O)C=CCO)CCCCO1
InChIInChI=1S/C11H20O3Si/c1-15(2)11(7-3-4-9-14-11)10(13)6-5-8-12/h5-6,12,15H,3-4,7-9H2,1-2H3
InChIKeyBTDDIYGFRDDZGP-UHFFFAOYSA-N
XLogP1.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-dimethylsilyloxan-2-yl)-4-hydroxybut-2-en-1-one?
The IUPAC name of 1-(2-dimethylsilyloxan-2-yl)-4-hydroxybut-2-en-1-one (CID 123142004) is 1-(2-dimethylsilyloxan-2-yl)-4-hydroxybut-2-en-1-one.
What is the SMILES notation for 1-(2-dimethylsilyloxan-2-yl)-4-hydroxybut-2-en-1-one?
The canonical SMILES for 1-(2-dimethylsilyloxan-2-yl)-4-hydroxybut-2-en-1-one is C[SiH](C)C1(C(=O)C=CCO)CCCCO1.
What is the InChIKey of 1-(2-dimethylsilyloxan-2-yl)-4-hydroxybut-2-en-1-one?
The InChIKey is BTDDIYGFRDDZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3Si/c1-15(2)11(7-3-4-9-14-11)10(13)6-5-8-12/h5-6,12,15H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(2-dimethylsilyloxan-2-yl)-4-hydroxybut-2-en-1-one?
1-(2-dimethylsilyloxan-2-yl)-4-hydroxybut-2-en-1-one has a molecular weight of 228.36 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dimethylsilyloxan-2-yl)-4-hydroxybut-2-en-1-one is sourced from PubChem (CID 123142004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).