2,4-dimethyl-6-trimethylsilylhex-5-yne-2,4-diol

C11H22O2Si — CID 150301203

IUPAC2,4-dimethyl-6-trimethylsilylhex-5-yne-2,4-diol
SMILESCC(C)(O)CC(C)(O)C#C[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-10(2,12)9-11(3,13)7-8-14(4,5)6/h12-13H,9H2,1-6H3
InChIKeyGJQJUQSSTQCHOD-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.78
Rot. Bonds2

About 2,4-dimethyl-6-trimethylsilylhex-5-yne-2,4-diol

2,4-dimethyl-6-trimethylsilylhex-5-yne-2,4-diol (PubChem CID 150301203) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 2,4-dimethyl-6-trimethylsilylhex-5-yne-2,4-diol.

Molecular Properties

Compound Name2,4-dimethyl-6-trimethylsilylhex-5-yne-2,4-diol
PubChem CID150301203
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name2,4-dimethyl-6-trimethylsilylhex-5-yne-2,4-diol
SMILESCC(C)(O)CC(C)(O)C#C[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-10(2,12)9-11(3,13)7-8-14(4,5)6/h12-13H,9H2,1-6H3
InChIKeyGJQJUQSSTQCHOD-UHFFFAOYSA-N
XLogP1.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.78
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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Related Compounds

3-Methyl-1-(trimethylsilyl)pent-1-yn-3-ol
CID 12630623
3-Ethyl-1-trimethylsilanyl-pent-1-yn-3-ol
CID 15526815
(3S)-3-methyl-6-trimethylsilylhex-5-yn-3-ol
CID 53483592
2-Methyl-5-trimethylsilylpent-4-yn-2-ol
CID 10442134
4-Propyl-1-(trimethylsilyl)-1-heptyn-4-ol
CID 12653261
4-(2-Trimethylsilylethynyl)hept-1-yn-4-ol
CID 53859588
4-[Hydroxy(dimethyl)silyl]oxy-2,4-dimethylpentan-2-ol
CID 59372664
1-[2-(Trimethylsilyl)ethynyl]cyclobutanol
CID 66602991
3-Methyl-5-trimethylsilylpent-4-yne-1,3-diol
CID 86092144
4-[Tert-butyl(dimethyl)silyl]-2,4-dimethylpentan-2-ol
CID 123364705
2-Methyl-8-(trimethylsilyl)octa-5,7-diyn-2-ol
CID 125494176
2-Methyl-6-(trimethylsilyl)hex-5-yn-2-ol
CID 125494972

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-trimethylsilylhex-5-yne-2,4-diol?
The IUPAC name of 2,4-dimethyl-6-trimethylsilylhex-5-yne-2,4-diol (CID 150301203) is 2,4-dimethyl-6-trimethylsilylhex-5-yne-2,4-diol.
What is the SMILES notation for 2,4-dimethyl-6-trimethylsilylhex-5-yne-2,4-diol?
The canonical SMILES for 2,4-dimethyl-6-trimethylsilylhex-5-yne-2,4-diol is CC(C)(O)CC(C)(O)C#C[Si](C)(C)C.
What is the InChIKey of 2,4-dimethyl-6-trimethylsilylhex-5-yne-2,4-diol?
The InChIKey is GJQJUQSSTQCHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-10(2,12)9-11(3,13)7-8-14(4,5)6/h12-13H,9H2,1-6H3.
What are the key properties of 2,4-dimethyl-6-trimethylsilylhex-5-yne-2,4-diol?
2,4-dimethyl-6-trimethylsilylhex-5-yne-2,4-diol has a molecular weight of 214.38 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-trimethylsilylhex-5-yne-2,4-diol is sourced from PubChem (CID 150301203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).