3-methyl-1-trimethylsilylheptadeca-1,4-diyn-3-ol

C21H38OSi — CID 138980143

IUPAC3-methyl-1-trimethylsilylheptadeca-1,4-diyn-3-ol
SMILESCCCCCCCCCCCCC#CC(C)(O)C#C[Si](C)(C)C
InChIInChI=1S/C21H38OSi/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2,22)19-20-23(3,4)5/h22H,6-16H2,1-5H3
InChIKeyYAVOXVNBAPLJLA-UHFFFAOYSA-N
MW334.62 g/mol
LogP5.93
Rot. Bonds10

About 3-methyl-1-trimethylsilylheptadeca-1,4-diyn-3-ol

3-methyl-1-trimethylsilylheptadeca-1,4-diyn-3-ol (PubChem CID 138980143) has the molecular formula C21H38OSi and a molecular weight of 334.62 g/mol. Its IUPAC name is 3-methyl-1-trimethylsilylheptadeca-1,4-diyn-3-ol.

Molecular Properties

Compound Name3-methyl-1-trimethylsilylheptadeca-1,4-diyn-3-ol
PubChem CID138980143
Molecular FormulaC21H38OSi
Molecular Weight334.62 g/mol
Exact Mass334.27
IUPAC Name3-methyl-1-trimethylsilylheptadeca-1,4-diyn-3-ol
SMILESCCCCCCCCCCCCC#CC(C)(O)C#C[Si](C)(C)C
InChIInChI=1S/C21H38OSi/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2,22)19-20-23(3,4)5/h22H,6-16H2,1-5H3
InChIKeyYAVOXVNBAPLJLA-UHFFFAOYSA-N
XLogP5.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.62
LogP ≤ 55.93
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'}

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Related Compounds

1-Tri(propan-2-yl)silyl-3-[2-tri(propan-2-yl)silylethynyl]trideca-1,4,6,8-tetrayn-3-ol
CID 24179136
1-Trimethylsilyl-3-(2-trimethylsilylethynyl)heptadeca-1,4-diyn-3-ol
CID 138980138
Tert-butyl-dimethyl-undec-1-ynoxysilane
CID 140011366
2-Methyl-5-trimethylsilylnon-3-yn-2-ol
CID 10082429
2-Methyl-10-trimethylsilyldeca-3,9-diyn-2-ol
CID 11528808
1-Triethylsilyl-3-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
CID 12036884
3-Methyl-1-trimethylsilylpentadec-4-yn-3-ol
CID 86091770

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-trimethylsilylheptadeca-1,4-diyn-3-ol?
The IUPAC name of 3-methyl-1-trimethylsilylheptadeca-1,4-diyn-3-ol (CID 138980143) is 3-methyl-1-trimethylsilylheptadeca-1,4-diyn-3-ol.
What is the SMILES notation for 3-methyl-1-trimethylsilylheptadeca-1,4-diyn-3-ol?
The canonical SMILES for 3-methyl-1-trimethylsilylheptadeca-1,4-diyn-3-ol is CCCCCCCCCCCCC#CC(C)(O)C#C[Si](C)(C)C.
What is the InChIKey of 3-methyl-1-trimethylsilylheptadeca-1,4-diyn-3-ol?
The InChIKey is YAVOXVNBAPLJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38OSi/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2,22)19-20-23(3,4)5/h22H,6-16H2,1-5H3.
What are the key properties of 3-methyl-1-trimethylsilylheptadeca-1,4-diyn-3-ol?
3-methyl-1-trimethylsilylheptadeca-1,4-diyn-3-ol has a molecular weight of 334.62 g/mol, XLogP of 5.93, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-trimethylsilylheptadeca-1,4-diyn-3-ol is sourced from PubChem (CID 138980143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).