1-trimethylsilyl-3-(2-trimethylsilylethynyl)heptadeca-1,4-diyn-3-ol

C25H44OSi2 — CID 138980138

IUPAC1-trimethylsilyl-3-(2-trimethylsilylethynyl)heptadeca-1,4-diyn-3-ol
SMILESCCCCCCCCCCCCC#CC(O)(C#C[Si](C)(C)C)C#C[Si](C)(C)C
InChIInChI=1S/C25H44OSi2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-25(26,21-23-27(2,3)4)22-24-28(5,6)7/h26H,8-18H2,1-7H3
InChIKeyLYDMWAJPJRCOHI-UHFFFAOYSA-N
MW416.80 g/mol
LogP6.79
Rot. Bonds10

About 1-trimethylsilyl-3-(2-trimethylsilylethynyl)heptadeca-1,4-diyn-3-ol

1-trimethylsilyl-3-(2-trimethylsilylethynyl)heptadeca-1,4-diyn-3-ol (PubChem CID 138980138) has the molecular formula C25H44OSi2 and a molecular weight of 416.80 g/mol. Its IUPAC name is 1-trimethylsilyl-3-(2-trimethylsilylethynyl)heptadeca-1,4-diyn-3-ol.

Molecular Properties

Compound Name1-trimethylsilyl-3-(2-trimethylsilylethynyl)heptadeca-1,4-diyn-3-ol
PubChem CID138980138
Molecular FormulaC25H44OSi2
Molecular Weight416.80 g/mol
Exact Mass416.29
IUPAC Name1-trimethylsilyl-3-(2-trimethylsilylethynyl)heptadeca-1,4-diyn-3-ol
SMILESCCCCCCCCCCCCC#CC(O)(C#C[Si](C)(C)C)C#C[Si](C)(C)C
InChIInChI=1S/C25H44OSi2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-25(26,21-23-27(2,3)4)22-24-28(5,6)7/h26H,8-18H2,1-7H3
InChIKeyLYDMWAJPJRCOHI-UHFFFAOYSA-N
XLogP6.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.80
LogP ≤ 56.79
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

1,7-Bis[tri(propan-2-yl)silyl]-3-[2-tri(propan-2-yl)silylethynyl]hepta-1,4,6-triyn-3-ol
CID 15258550
(3R)-3-ethynyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
CID 135086314
1-Tri(propan-2-yl)silyl-3-[2-tri(propan-2-yl)silylethynyl]trideca-1,4,6,8-tetrayn-3-ol
CID 24179136
3-Methyl-1-trimethylsilylheptadeca-1,4-diyn-3-ol
CID 138980143
2-Methyl-5-trimethylsilylnon-3-yn-2-ol
CID 10082429
3-Ethynyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
CID 11371003
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-Ethynyl-1-triethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
CID 12036885
3-Methyl-1-trimethylsilylpentadec-4-yn-3-ol
CID 86091770
4,4'-[[2-(Diethylmethylsilyl)ethyl]methylsilylene]bis[2-methyl-3-butyn-2-ol]
CID 131880925

Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilyl-3-(2-trimethylsilylethynyl)heptadeca-1,4-diyn-3-ol?
The IUPAC name of 1-trimethylsilyl-3-(2-trimethylsilylethynyl)heptadeca-1,4-diyn-3-ol (CID 138980138) is 1-trimethylsilyl-3-(2-trimethylsilylethynyl)heptadeca-1,4-diyn-3-ol.
What is the SMILES notation for 1-trimethylsilyl-3-(2-trimethylsilylethynyl)heptadeca-1,4-diyn-3-ol?
The canonical SMILES for 1-trimethylsilyl-3-(2-trimethylsilylethynyl)heptadeca-1,4-diyn-3-ol is CCCCCCCCCCCCC#CC(O)(C#C[Si](C)(C)C)C#C[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilyl-3-(2-trimethylsilylethynyl)heptadeca-1,4-diyn-3-ol?
The InChIKey is LYDMWAJPJRCOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44OSi2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-25(26,21-23-27(2,3)4)22-24-28(5,6)7/h26H,8-18H2,1-7H3.
What are the key properties of 1-trimethylsilyl-3-(2-trimethylsilylethynyl)heptadeca-1,4-diyn-3-ol?
1-trimethylsilyl-3-(2-trimethylsilylethynyl)heptadeca-1,4-diyn-3-ol has a molecular weight of 416.80 g/mol, XLogP of 6.79, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyl-3-(2-trimethylsilylethynyl)heptadeca-1,4-diyn-3-ol is sourced from PubChem (CID 138980138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).