17-methyl-1-trimethylsilylpentacos-1-yn-3-ol

C29H58OSi — CID 91252750

IUPAC17-methyl-1-trimethylsilylpentacos-1-yn-3-ol
SMILESCCCCCCCCC(C)CCCCCCCCCCCCCC(O)C#C[Si](C)(C)C
InChIInChI=1S/C29H58OSi/c1-6-7-8-9-17-20-23-28(2)24-21-18-15-13-11-10-12-14-16-19-22-25-29(30)26-27-31(3,4)5/h28-30H,6-25H2,1-5H3
InChIKeyQFUKUQDCOOMHOQ-UHFFFAOYSA-N
MW450.87 g/mol
LogP9.69
Rot. Bonds21

About 17-methyl-1-trimethylsilylpentacos-1-yn-3-ol

17-methyl-1-trimethylsilylpentacos-1-yn-3-ol (PubChem CID 91252750) has the molecular formula C29H58OSi and a molecular weight of 450.87 g/mol. Its IUPAC name is 17-methyl-1-trimethylsilylpentacos-1-yn-3-ol.

Molecular Properties

Compound Name17-methyl-1-trimethylsilylpentacos-1-yn-3-ol
PubChem CID91252750
Molecular FormulaC29H58OSi
Molecular Weight450.87 g/mol
Exact Mass450.43
IUPAC Name17-methyl-1-trimethylsilylpentacos-1-yn-3-ol
SMILESCCCCCCCCC(C)CCCCCCCCCCCCCC(O)C#C[Si](C)(C)C
InChIInChI=1S/C29H58OSi/c1-6-7-8-9-17-20-23-28(2)24-21-18-15-13-11-10-12-14-16-19-22-25-29(30)26-27-31(3,4)5/h28-30H,6-25H2,1-5H3
InChIKeyQFUKUQDCOOMHOQ-UHFFFAOYSA-N
XLogP9.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.87
LogP ≤ 59.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 17-methyl-1-trimethylsilylpentacos-1-yn-3-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

Strongylodiol D
CID 11417800
(3R)-16-methylicos-1-yn-3-ol
CID 10403044
(3R)-19-methylicos-1-yn-3-ol
CID 10470552
(5R)-1-tri(propan-2-yl)silyltetradeca-1,3-diyn-5-ol
CID 164610642
(1S)-1-cyclopentyl-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol
CID 164617863
(6R,15S)-15-methyltricosa-2,4-diyne-1,6-diol
CID 163063685
alpha-(3-(Trimethylsilyl)-2-propyn-1-yl)cyclohexanemethanol
CID 10867955
1-Tri(propan-2-yl)silyldodec-1-yn-4-ol
CID 12120914
1-[2-(Trimethylsilylmethyl)cyclopropyl]heptan-1-ol
CID 14214592
(1R)-1-cyclohexyl-3-triethylsilylprop-2-yn-1-ol
CID 10125283
(1S)-1-cyclohexyl-3-trimethylsilylprop-2-yn-1-ol
CID 10536456
alpha-[2-(Trimethylsilyl)ethynyl]cyclohexanemethanol
CID 14026558

Frequently Asked Questions

What is the IUPAC name of 17-methyl-1-trimethylsilylpentacos-1-yn-3-ol?
The IUPAC name of 17-methyl-1-trimethylsilylpentacos-1-yn-3-ol (CID 91252750) is 17-methyl-1-trimethylsilylpentacos-1-yn-3-ol.
What is the SMILES notation for 17-methyl-1-trimethylsilylpentacos-1-yn-3-ol?
The canonical SMILES for 17-methyl-1-trimethylsilylpentacos-1-yn-3-ol is CCCCCCCCC(C)CCCCCCCCCCCCCC(O)C#C[Si](C)(C)C.
What is the InChIKey of 17-methyl-1-trimethylsilylpentacos-1-yn-3-ol?
The InChIKey is QFUKUQDCOOMHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H58OSi/c1-6-7-8-9-17-20-23-28(2)24-21-18-15-13-11-10-12-14-16-19-22-25-29(30)26-27-31(3,4)5/h28-30H,6-25H2,1-5H3.
What are the key properties of 17-methyl-1-trimethylsilylpentacos-1-yn-3-ol?
17-methyl-1-trimethylsilylpentacos-1-yn-3-ol has a molecular weight of 450.87 g/mol, XLogP of 9.69, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyl-1-trimethylsilylpentacos-1-yn-3-ol is sourced from PubChem (CID 91252750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).