1-[hydroxy(diphenyl)silyl]dec-1-yn-4-ol

C22H28O2Si — CID 10981067

IUPAC1-[hydroxy(diphenyl)silyl]dec-1-yn-4-ol
SMILESCCCCCCC(O)CC#C[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O2Si/c1-2-3-4-7-13-20(23)14-12-19-25(24,21-15-8-5-9-16-21)22-17-10-6-11-18-22/h5-6,8-11,15-18,20,23-24H,2-4,7,13-14H2,1H3
InChIKeyXAHIPZRYVOPKMM-UHFFFAOYSA-N
MW352.55 g/mol
LogP3.00
Rot. Bonds8

About 1-[hydroxy(diphenyl)silyl]dec-1-yn-4-ol

1-[hydroxy(diphenyl)silyl]dec-1-yn-4-ol (PubChem CID 10981067) has the molecular formula C22H28O2Si and a molecular weight of 352.55 g/mol. Its IUPAC name is 1-[hydroxy(diphenyl)silyl]dec-1-yn-4-ol.

Molecular Properties

Compound Name1-[hydroxy(diphenyl)silyl]dec-1-yn-4-ol
PubChem CID10981067
Molecular FormulaC22H28O2Si
Molecular Weight352.55 g/mol
Exact Mass352.19
IUPAC Name1-[hydroxy(diphenyl)silyl]dec-1-yn-4-ol
SMILESCCCCCCC(O)CC#C[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O2Si/c1-2-3-4-7-13-20(23)14-12-19-25(24,21-15-8-5-9-16-21)22-17-10-6-11-18-22/h5-6,8-11,15-18,20,23-24H,2-4,7,13-14H2,1H3
InChIKeyXAHIPZRYVOPKMM-UHFFFAOYSA-N
XLogP3.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[hydroxy(diphenyl)silyl]dec-1-yn-4-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

1-phenyldec-1-yn-4-ol
CID 15174596
(4R)-1-trimethylsilyltridec-1-yn-4-ol
CID 139667273
1-phenoxytetradecan-2-ol
CID 11609222
undec-2-yne-1,5-diol
CID 14791778
1,1-diphenyltetradecan-3-ol
CID 102298194
1-phenoxyheptan-2-ol
CID 12731443
(2S,5S)-1-phenylpentadecane-2,5-diol
CID 98091747
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
10-hydroxy-2-phenyloctadecanoic acid
CID 67642354
(1R)-1-phenyloctan-1-ol
CID 12794259
(1R,5S)-1-phenyldecane-1,5-diol
CID 10879541
7-octadecyl-1-phenylpentacosan-2-ol
CID 162497246

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy(diphenyl)silyl]dec-1-yn-4-ol?
The IUPAC name of 1-[hydroxy(diphenyl)silyl]dec-1-yn-4-ol (CID 10981067) is 1-[hydroxy(diphenyl)silyl]dec-1-yn-4-ol.
What is the SMILES notation for 1-[hydroxy(diphenyl)silyl]dec-1-yn-4-ol?
The canonical SMILES for 1-[hydroxy(diphenyl)silyl]dec-1-yn-4-ol is CCCCCCC(O)CC#C[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[hydroxy(diphenyl)silyl]dec-1-yn-4-ol?
The InChIKey is XAHIPZRYVOPKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O2Si/c1-2-3-4-7-13-20(23)14-12-19-25(24,21-15-8-5-9-16-21)22-17-10-6-11-18-22/h5-6,8-11,15-18,20,23-24H,2-4,7,13-14H2,1H3.
What are the key properties of 1-[hydroxy(diphenyl)silyl]dec-1-yn-4-ol?
1-[hydroxy(diphenyl)silyl]dec-1-yn-4-ol has a molecular weight of 352.55 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy(diphenyl)silyl]dec-1-yn-4-ol is sourced from PubChem (CID 10981067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).