3-methyl-1-trimethylsilylpentadec-4-yn-3-ol

C19H38OSi — CID 86091770

IUPAC3-methyl-1-trimethylsilylpentadec-4-yn-3-ol
SMILESCCCCCCCCCCC#CC(C)(O)CC[Si](C)(C)C
InChIInChI=1S/C19H38OSi/c1-6-7-8-9-10-11-12-13-14-15-16-19(2,20)17-18-21(3,4)5/h20H,6-14,17-18H2,1-5H3
InChIKeyXPUWXFJITJIIGU-UHFFFAOYSA-N
MW310.60 g/mol
LogP6.00
Rot. Bonds11

About 3-methyl-1-trimethylsilylpentadec-4-yn-3-ol

3-methyl-1-trimethylsilylpentadec-4-yn-3-ol (PubChem CID 86091770) has the molecular formula C19H38OSi and a molecular weight of 310.60 g/mol. Its IUPAC name is 3-methyl-1-trimethylsilylpentadec-4-yn-3-ol.

Molecular Properties

Compound Name3-methyl-1-trimethylsilylpentadec-4-yn-3-ol
PubChem CID86091770
Molecular FormulaC19H38OSi
Molecular Weight310.60 g/mol
Exact Mass310.27
IUPAC Name3-methyl-1-trimethylsilylpentadec-4-yn-3-ol
SMILESCCCCCCCCCCC#CC(C)(O)CC[Si](C)(C)C
InChIInChI=1S/C19H38OSi/c1-6-7-8-9-10-11-12-13-14-15-16-19(2,20)17-18-21(3,4)5/h20H,6-14,17-18H2,1-5H3
InChIKeyXPUWXFJITJIIGU-UHFFFAOYSA-N
XLogP6.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.60
LogP ≤ 56.00
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

3-Hydroxy-3-methyl-4-heneicosyne
CID 12021387
1-Trimethylsilyl-3-(2-trimethylsilylethynyl)heptadeca-1,4-diyn-3-ol
CID 138980138
3-Methyl-1-trimethylsilylheptadeca-1,4-diyn-3-ol
CID 138980143
3-Ethyl-1-tri(propan-2-yl)silylpent-1-yn-3-ol
CID 159866305
3-Methyl-1-trimethylsilyltridec-1-yn-3-ol
CID 10564881
2,6-Dimethyl-2,6-bis(trimethylsilyl)-4-(2-trimethylsilylethynyl)heptan-4-ol
CID 15850216

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-trimethylsilylpentadec-4-yn-3-ol?
The IUPAC name of 3-methyl-1-trimethylsilylpentadec-4-yn-3-ol (CID 86091770) is 3-methyl-1-trimethylsilylpentadec-4-yn-3-ol.
What is the SMILES notation for 3-methyl-1-trimethylsilylpentadec-4-yn-3-ol?
The canonical SMILES for 3-methyl-1-trimethylsilylpentadec-4-yn-3-ol is CCCCCCCCCCC#CC(C)(O)CC[Si](C)(C)C.
What is the InChIKey of 3-methyl-1-trimethylsilylpentadec-4-yn-3-ol?
The InChIKey is XPUWXFJITJIIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38OSi/c1-6-7-8-9-10-11-12-13-14-15-16-19(2,20)17-18-21(3,4)5/h20H,6-14,17-18H2,1-5H3.
What are the key properties of 3-methyl-1-trimethylsilylpentadec-4-yn-3-ol?
3-methyl-1-trimethylsilylpentadec-4-yn-3-ol has a molecular weight of 310.60 g/mol, XLogP of 6.00, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-trimethylsilylpentadec-4-yn-3-ol is sourced from PubChem (CID 86091770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).