[(3R)-3-diethoxyphosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane

C24H41O3PSi — CID 166637256

IUPAC[(3R)-3-diethoxyphosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane
SMILESCCOP(=O)(OCC)[C@@H](C#C[Si](C(C)C)(C(C)C)C(C)C)CCc1ccccc1
InChIInChI=1S/C24H41O3PSi/c1-9-26-28(25,27-10-2)24(17-16-23-14-12-11-13-15-23)18-19-29(20(3)4,21(5)6)22(7)8/h11-15,20-22,24H,9-10,16-17H2,1-8H3/t24-/m1/s1
InChIKeyXILMUMBQXKWECB-XMMPIXPASA-N
MW436.65 g/mol
LogP7.48
Rot. Bonds11

About [(3R)-3-diethoxyphosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane

[(3R)-3-diethoxyphosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane (PubChem CID 166637256) has the molecular formula C24H41O3PSi and a molecular weight of 436.65 g/mol. Its IUPAC name is [(3R)-3-diethoxyphosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3R)-3-diethoxyphosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane
PubChem CID166637256
Molecular FormulaC24H41O3PSi
Molecular Weight436.65 g/mol
Exact Mass436.26
IUPAC Name[(3R)-3-diethoxyphosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane
SMILESCCOP(=O)(OCC)[C@@H](C#C[Si](C(C)C)(C(C)C)C(C)C)CCc1ccccc1
InChIInChI=1S/C24H41O3PSi/c1-9-26-28(25,27-10-2)24(17-16-23-14-12-11-13-15-23)18-19-29(20(3)4,21(5)6)22(7)8/h11-15,20-22,24H,9-10,16-17H2,1-8H3/t24-/m1/s1
InChIKeyXILMUMBQXKWECB-XMMPIXPASA-N
XLogP7.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.65
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[(3R)-3-bis(phenylmethoxy)phosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane
CID 166637260
1-diethoxyphosphoryl-3-phenylpropan-1-ol
CID 12930490
diethyl (5-phenyl-1-trimethylsilylpent-1-yn-3-yl) phosphate
CID 164683915
4,4-bis(diethoxyphosphoryl)butylbenzene
CID 10150860
(1-diethoxyphosphoryl-3-phenylpropyl) diethyl phosphate
CID 10454120
2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene
CID 87083912
[(E)-3-(2-phenylethyl)hex-4-en-1-ynyl]-tri(propan-2-yl)silane
CID 102346323
2-diethoxyphosphorylethylbenzene
CID 3448525
(1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol
CID 102595949
2-[ethoxy(methyl)phosphoryl]ethylbenzene
CID 141455877
(E)-1-diethoxyphosphoryl-5-phenylpent-1-en-3-amine
CID 20683659
(4S,5R)-2-diethoxyphosphoryl-5-hydroxy-4-methyl-8-phenylmethoxyoctan-3-one
CID 134863694

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-diethoxyphosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane?
The IUPAC name of [(3R)-3-diethoxyphosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane (CID 166637256) is [(3R)-3-diethoxyphosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(3R)-3-diethoxyphosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(3R)-3-diethoxyphosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane is CCOP(=O)(OCC)[C@@H](C#C[Si](C(C)C)(C(C)C)C(C)C)CCc1ccccc1.
What is the InChIKey of [(3R)-3-diethoxyphosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane?
The InChIKey is XILMUMBQXKWECB-XMMPIXPASA-N. The full InChI is InChI=1S/C24H41O3PSi/c1-9-26-28(25,27-10-2)24(17-16-23-14-12-11-13-15-23)18-19-29(20(3)4,21(5)6)22(7)8/h11-15,20-22,24H,9-10,16-17H2,1-8H3/t24-/m1/s1.
What are the key properties of [(3R)-3-diethoxyphosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane?
[(3R)-3-diethoxyphosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane has a molecular weight of 436.65 g/mol, XLogP of 7.48, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-diethoxyphosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 166637256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).