diethyl [(3R)-5-methyl-1-trimethylsilylhex-1-yn-3-yl] phosphate

C14H29O4PSi — CID 15398084

IUPACdiethyl [(3R)-5-methyl-1-trimethylsilylhex-1-yn-3-yl] phosphate
SMILESCCOP(=O)(OCC)O[C@@H](C#C[Si](C)(C)C)CC(C)C
InChIInChI=1S/C14H29O4PSi/c1-8-16-19(15,17-9-2)18-14(12-13(3)4)10-11-20(5,6)7/h13-14H,8-9,12H2,1-7H3/t14-/m0/s1
InChIKeyHUDUKVGLFOLPSD-AWEZNQCLSA-N
MW320.44 g/mol
LogP4.48
Rot. Bonds8

About diethyl [(3R)-5-methyl-1-trimethylsilylhex-1-yn-3-yl] phosphate

diethyl [(3R)-5-methyl-1-trimethylsilylhex-1-yn-3-yl] phosphate (PubChem CID 15398084) has the molecular formula C14H29O4PSi and a molecular weight of 320.44 g/mol. Its IUPAC name is diethyl [(3R)-5-methyl-1-trimethylsilylhex-1-yn-3-yl] phosphate.

Molecular Properties

Compound Namediethyl [(3R)-5-methyl-1-trimethylsilylhex-1-yn-3-yl] phosphate
PubChem CID15398084
Molecular FormulaC14H29O4PSi
Molecular Weight320.44 g/mol
Exact Mass320.16
IUPAC Namediethyl [(3R)-5-methyl-1-trimethylsilylhex-1-yn-3-yl] phosphate
SMILESCCOP(=O)(OCC)O[C@@H](C#C[Si](C)(C)C)CC(C)C
InChIInChI=1S/C14H29O4PSi/c1-8-16-19(15,17-9-2)18-14(12-13(3)4)10-11-20(5,6)7/h13-14H,8-9,12H2,1-7H3/t14-/m0/s1
InChIKeyHUDUKVGLFOLPSD-AWEZNQCLSA-N
XLogP4.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl (5-phenyl-1-trimethylsilylpent-1-yn-3-yl) phosphate
CID 164683915
1-(aziridin-1-yl)propan-2-yl diethyl phosphate
CID 2784441
[diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate
CID 172720622
(1S)-1-diethoxyphosphoryl-3-methylbutan-1-ol
CID 10944092
copper(1+);diethyl oct-1-yn-3-yl phosphate
CID 10426447
(3-diethoxyphosphoryl-3,3-difluoroprop-1-ynyl)-trimethylsilane
CID 71662126
2-diethoxyphosphoryl-4-methylpentan-2-amine
CID 14742051
diethyl 1-fluoropropyl phosphate
CID 174844382
(1-diethoxyphosphoryl-2,2,2-trifluoroethyl) diethyl phosphate
CID 13026280
3,5-dimethylhept-1-ynyl(trimethyl)silane
CID 58467900
diethyl [(1S)-1-phenylethyl] phosphate
CID 10945101
ethyl 1-trimethylsilylhept-1-yn-3-yl carbonate
CID 10988906

Frequently Asked Questions

What is the IUPAC name of diethyl [(3R)-5-methyl-1-trimethylsilylhex-1-yn-3-yl] phosphate?
The IUPAC name of diethyl [(3R)-5-methyl-1-trimethylsilylhex-1-yn-3-yl] phosphate (CID 15398084) is diethyl [(3R)-5-methyl-1-trimethylsilylhex-1-yn-3-yl] phosphate.
What is the SMILES notation for diethyl [(3R)-5-methyl-1-trimethylsilylhex-1-yn-3-yl] phosphate?
The canonical SMILES for diethyl [(3R)-5-methyl-1-trimethylsilylhex-1-yn-3-yl] phosphate is CCOP(=O)(OCC)O[C@@H](C#C[Si](C)(C)C)CC(C)C.
What is the InChIKey of diethyl [(3R)-5-methyl-1-trimethylsilylhex-1-yn-3-yl] phosphate?
The InChIKey is HUDUKVGLFOLPSD-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H29O4PSi/c1-8-16-19(15,17-9-2)18-14(12-13(3)4)10-11-20(5,6)7/h13-14H,8-9,12H2,1-7H3/t14-/m0/s1.
What are the key properties of diethyl [(3R)-5-methyl-1-trimethylsilylhex-1-yn-3-yl] phosphate?
diethyl [(3R)-5-methyl-1-trimethylsilylhex-1-yn-3-yl] phosphate has a molecular weight of 320.44 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [(3R)-5-methyl-1-trimethylsilylhex-1-yn-3-yl] phosphate is sourced from PubChem (CID 15398084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).