4-[dimethyl(phenyl)silyl]but-2-yn-1-ol

C12H16OSi — CID 11820256

IUPAC4-[dimethyl(phenyl)silyl]but-2-yn-1-ol
SMILESC[Si](C)(CC#CCO)c1ccccc1
InChIInChI=1S/C12H16OSi/c1-14(2,11-7-6-10-13)12-8-4-3-5-9-12/h3-5,8-9,13H,10-11H2,1-2H3
InChIKeySRKRTNJXJBBSPF-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.60
Rot. Bonds2

About 4-[dimethyl(phenyl)silyl]but-2-yn-1-ol

4-[dimethyl(phenyl)silyl]but-2-yn-1-ol (PubChem CID 11820256) has the molecular formula C12H16OSi and a molecular weight of 204.34 g/mol. Its IUPAC name is 4-[dimethyl(phenyl)silyl]but-2-yn-1-ol.

Molecular Properties

Compound Name4-[dimethyl(phenyl)silyl]but-2-yn-1-ol
PubChem CID11820256
Molecular FormulaC12H16OSi
Molecular Weight204.34 g/mol
Exact Mass204.10
IUPAC Name4-[dimethyl(phenyl)silyl]but-2-yn-1-ol
SMILESC[Si](C)(CC#CCO)c1ccccc1
InChIInChI=1S/C12H16OSi/c1-14(2,11-7-6-10-13)12-8-4-3-5-9-12/h3-5,8-9,13H,10-11H2,1-2H3
InChIKeySRKRTNJXJBBSPF-UHFFFAOYSA-N
XLogP1.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.60
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'}

Analyze 4-[dimethyl(phenyl)silyl]but-2-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl-(4-methyl-4-phenylpent-2-ynyl)-phenylsilane
CID 166442271
2-[dimethyl(phenyl)silyl]ethyl-dimethyl-phenylsilane
CID 585640
(E)-4-[dimethyl(phenyl)silyl]but-2-en-1-ol
CID 10058832
CID 13412368
CID 13412368
2-methoxyethyl-dimethyl-phenylsilane
CID 123175505
[dimethyl(phenyl)silyl]methyl-methoxy-dimethylsilane
CID 59357407
dimethyl-phenyl-(2,3,3-trifluoroprop-2-enyl)silane
CID 162419783
2-iodoprop-2-enyl-dimethyl-phenylsilane
CID 14028568
1-[dimethyl(phenyl)silyl]-N,N-dimethylmethanamine
CID 12549234
3-(3-trimethylsilylphenyl)prop-2-yn-1-ol
CID 169485183
4-[dimethyl(phenyl)silyl]-2-methylbutan-2-ol
CID 14066704
lithium dimethyl-phenyl-prop-2-enylsilane
CID 14028570

Frequently Asked Questions

What is the IUPAC name of 4-[dimethyl(phenyl)silyl]but-2-yn-1-ol?
The IUPAC name of 4-[dimethyl(phenyl)silyl]but-2-yn-1-ol (CID 11820256) is 4-[dimethyl(phenyl)silyl]but-2-yn-1-ol.
What is the SMILES notation for 4-[dimethyl(phenyl)silyl]but-2-yn-1-ol?
The canonical SMILES for 4-[dimethyl(phenyl)silyl]but-2-yn-1-ol is C[Si](C)(CC#CCO)c1ccccc1.
What is the InChIKey of 4-[dimethyl(phenyl)silyl]but-2-yn-1-ol?
The InChIKey is SRKRTNJXJBBSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OSi/c1-14(2,11-7-6-10-13)12-8-4-3-5-9-12/h3-5,8-9,13H,10-11H2,1-2H3.
What are the key properties of 4-[dimethyl(phenyl)silyl]but-2-yn-1-ol?
4-[dimethyl(phenyl)silyl]but-2-yn-1-ol has a molecular weight of 204.34 g/mol, XLogP of 1.60, 2 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-2-yn-1-ol is sourced from PubChem (CID 11820256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).