4-[dimethyl(phenyl)silyl]but-3-yn-2-ol

C12H16OSi — CID 11074499

IUPAC4-[dimethyl(phenyl)silyl]but-3-yn-2-ol
SMILESCC(O)C#C[Si](C)(C)c1ccccc1
InChIInChI=1S/C12H16OSi/c1-11(13)9-10-14(2,3)12-7-5-4-6-8-12/h4-8,11,13H,1-3H3
InChIKeyIULWJCZFPCWKSN-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.53
Rot. Bonds1

About 4-[dimethyl(phenyl)silyl]but-3-yn-2-ol

4-[dimethyl(phenyl)silyl]but-3-yn-2-ol (PubChem CID 11074499) has the molecular formula C12H16OSi and a molecular weight of 204.34 g/mol. Its IUPAC name is 4-[dimethyl(phenyl)silyl]but-3-yn-2-ol.

Molecular Properties

Compound Name4-[dimethyl(phenyl)silyl]but-3-yn-2-ol
PubChem CID11074499
Molecular FormulaC12H16OSi
Molecular Weight204.34 g/mol
Exact Mass204.10
IUPAC Name4-[dimethyl(phenyl)silyl]but-3-yn-2-ol
SMILESCC(O)C#C[Si](C)(C)c1ccccc1
InChIInChI=1S/C12H16OSi/c1-11(13)9-10-14(2,3)12-7-5-4-6-8-12/h4-8,11,13H,1-3H3
InChIKeyIULWJCZFPCWKSN-UHFFFAOYSA-N
XLogP1.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[dimethyl(phenyl)silyl]but-3-yn-2-ol?
The IUPAC name of 4-[dimethyl(phenyl)silyl]but-3-yn-2-ol (CID 11074499) is 4-[dimethyl(phenyl)silyl]but-3-yn-2-ol.
What is the SMILES notation for 4-[dimethyl(phenyl)silyl]but-3-yn-2-ol?
The canonical SMILES for 4-[dimethyl(phenyl)silyl]but-3-yn-2-ol is CC(O)C#C[Si](C)(C)c1ccccc1.
What is the InChIKey of 4-[dimethyl(phenyl)silyl]but-3-yn-2-ol?
The InChIKey is IULWJCZFPCWKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OSi/c1-11(13)9-10-14(2,3)12-7-5-4-6-8-12/h4-8,11,13H,1-3H3.
What are the key properties of 4-[dimethyl(phenyl)silyl]but-3-yn-2-ol?
4-[dimethyl(phenyl)silyl]but-3-yn-2-ol has a molecular weight of 204.34 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl(phenyl)silyl]but-3-yn-2-ol is sourced from PubChem (CID 11074499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).