diethyl (5-phenyl-1-trimethylsilylpent-1-yn-3-yl) phosphate

C18H29O4PSi — CID 164683915

IUPACdiethyl (5-phenyl-1-trimethylsilylpent-1-yn-3-yl) phosphate
SMILESCCOP(=O)(OCC)OC(C#C[Si](C)(C)C)CCc1ccccc1
InChIInChI=1S/C18H29O4PSi/c1-6-20-23(19,21-7-2)22-18(15-16-24(3,4)5)14-13-17-11-9-8-10-12-17/h8-12,18H,6-7,13-14H2,1-5H3
InChIKeyROMGMIFRRHVPQD-UHFFFAOYSA-N
MW368.49 g/mol
LogP5.07
Rot. Bonds9

About diethyl (5-phenyl-1-trimethylsilylpent-1-yn-3-yl) phosphate

diethyl (5-phenyl-1-trimethylsilylpent-1-yn-3-yl) phosphate (PubChem CID 164683915) has the molecular formula C18H29O4PSi and a molecular weight of 368.49 g/mol. Its IUPAC name is diethyl (5-phenyl-1-trimethylsilylpent-1-yn-3-yl) phosphate.

Molecular Properties

Compound Namediethyl (5-phenyl-1-trimethylsilylpent-1-yn-3-yl) phosphate
PubChem CID164683915
Molecular FormulaC18H29O4PSi
Molecular Weight368.49 g/mol
Exact Mass368.16
IUPAC Namediethyl (5-phenyl-1-trimethylsilylpent-1-yn-3-yl) phosphate
SMILESCCOP(=O)(OCC)OC(C#C[Si](C)(C)C)CCc1ccccc1
InChIInChI=1S/C18H29O4PSi/c1-6-20-23(19,21-7-2)22-18(15-16-24(3,4)5)14-13-17-11-9-8-10-12-17/h8-12,18H,6-7,13-14H2,1-5H3
InChIKeyROMGMIFRRHVPQD-UHFFFAOYSA-N
XLogP5.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.49
LogP ≤ 55.07
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

(1-diethoxyphosphoryl-3-phenylpropyl) diethyl phosphate
CID 10454120
diethyl [(3R)-5-methyl-1-trimethylsilylhex-1-yn-3-yl] phosphate
CID 15398084
(3-bromo-5-phenylpent-1-ynyl)-trimethylsilane
CID 166637296
1-diethoxyphosphoryl-3-phenylpropan-1-ol
CID 12930490
[(3R)-3-diethoxyphosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane
CID 166637256
diethyl [(1S)-1-phenylethyl] phosphate
CID 10945101
4,4-bis(diethoxyphosphoryl)butylbenzene
CID 10150860
2-diethoxyphosphorylethylbenzene
CID 3448525
2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene
CID 87083912
2-[ethoxy(methyl)phosphoryl]ethylbenzene
CID 141455877
(E)-1-diethoxyphosphoryl-5-phenylpent-1-en-3-amine
CID 20683659
[(3R)-3-bis(phenylmethoxy)phosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane
CID 166637260

Frequently Asked Questions

What is the IUPAC name of diethyl (5-phenyl-1-trimethylsilylpent-1-yn-3-yl) phosphate?
The IUPAC name of diethyl (5-phenyl-1-trimethylsilylpent-1-yn-3-yl) phosphate (CID 164683915) is diethyl (5-phenyl-1-trimethylsilylpent-1-yn-3-yl) phosphate.
What is the SMILES notation for diethyl (5-phenyl-1-trimethylsilylpent-1-yn-3-yl) phosphate?
The canonical SMILES for diethyl (5-phenyl-1-trimethylsilylpent-1-yn-3-yl) phosphate is CCOP(=O)(OCC)OC(C#C[Si](C)(C)C)CCc1ccccc1.
What is the InChIKey of diethyl (5-phenyl-1-trimethylsilylpent-1-yn-3-yl) phosphate?
The InChIKey is ROMGMIFRRHVPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29O4PSi/c1-6-20-23(19,21-7-2)22-18(15-16-24(3,4)5)14-13-17-11-9-8-10-12-17/h8-12,18H,6-7,13-14H2,1-5H3.
What are the key properties of diethyl (5-phenyl-1-trimethylsilylpent-1-yn-3-yl) phosphate?
diethyl (5-phenyl-1-trimethylsilylpent-1-yn-3-yl) phosphate has a molecular weight of 368.49 g/mol, XLogP of 5.07, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (5-phenyl-1-trimethylsilylpent-1-yn-3-yl) phosphate is sourced from PubChem (CID 164683915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).