3-methyl-5-trimethylsilylpent-4-yne-1,3-diol

C9H18O2Si — CID 86092144

IUPAC3-methyl-5-trimethylsilylpent-4-yne-1,3-diol
SMILESCC(O)(C#C[Si](C)(C)C)CCO
InChIInChI=1S/C9H18O2Si/c1-9(11,5-7-10)6-8-12(2,3)4/h10-11H,5,7H2,1-4H3
InChIKeyIXTBSIOAQKPXLY-UHFFFAOYSA-N
MW186.33 g/mol
LogP1.00
Rot. Bonds2

About 3-methyl-5-trimethylsilylpent-4-yne-1,3-diol

3-methyl-5-trimethylsilylpent-4-yne-1,3-diol (PubChem CID 86092144) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is 3-methyl-5-trimethylsilylpent-4-yne-1,3-diol.

Molecular Properties

Compound Name3-methyl-5-trimethylsilylpent-4-yne-1,3-diol
PubChem CID86092144
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name3-methyl-5-trimethylsilylpent-4-yne-1,3-diol
SMILESCC(O)(C#C[Si](C)(C)C)CCO
InChIInChI=1S/C9H18O2Si/c1-9(11,5-7-10)6-8-12(2,3)4/h10-11H,5,7H2,1-4H3
InChIKeyIXTBSIOAQKPXLY-UHFFFAOYSA-N
XLogP1.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-trimethylsilylpent-4-yne-1,3-diol?
The IUPAC name of 3-methyl-5-trimethylsilylpent-4-yne-1,3-diol (CID 86092144) is 3-methyl-5-trimethylsilylpent-4-yne-1,3-diol.
What is the SMILES notation for 3-methyl-5-trimethylsilylpent-4-yne-1,3-diol?
The canonical SMILES for 3-methyl-5-trimethylsilylpent-4-yne-1,3-diol is CC(O)(C#C[Si](C)(C)C)CCO.
What is the InChIKey of 3-methyl-5-trimethylsilylpent-4-yne-1,3-diol?
The InChIKey is IXTBSIOAQKPXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-9(11,5-7-10)6-8-12(2,3)4/h10-11H,5,7H2,1-4H3.
What are the key properties of 3-methyl-5-trimethylsilylpent-4-yne-1,3-diol?
3-methyl-5-trimethylsilylpent-4-yne-1,3-diol has a molecular weight of 186.33 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-trimethylsilylpent-4-yne-1,3-diol is sourced from PubChem (CID 86092144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).