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

C34H45O3PSi — CID 166637260

IUPAC[(3R)-3-bis(phenylmethoxy)phosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#C[C@@H](CCc1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C34H45O3PSi/c1-28(2)39(29(3)4,30(5)6)25-24-34(23-22-31-16-10-7-11-17-31)38(35,36-26-32-18-12-8-13-19-32)37-27-33-20-14-9-15-21-33/h7-21,28-30,34H,22-23,26-27H2,1-6H3/t34-/m1/s1
InChIKeyJAAFPVLXUKHUPZ-UUWRZZSWSA-N
MW560.79 g/mol
LogP9.84
Rot. Bonds13

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

[(3R)-3-bis(phenylmethoxy)phosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane (PubChem CID 166637260) has the molecular formula C34H45O3PSi and a molecular weight of 560.79 g/mol. Its IUPAC name is [(3R)-3-bis(phenylmethoxy)phosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3R)-3-bis(phenylmethoxy)phosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane
PubChem CID166637260
Molecular FormulaC34H45O3PSi
Molecular Weight560.79 g/mol
Exact Mass560.29
IUPAC Name[(3R)-3-bis(phenylmethoxy)phosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#C[C@@H](CCc1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C34H45O3PSi/c1-28(2)39(29(3)4,30(5)6)25-24-34(23-22-31-16-10-7-11-17-31)38(35,36-26-32-18-12-8-13-19-32)37-27-33-20-14-9-15-21-33/h7-21,28-30,34H,22-23,26-27H2,1-6H3/t34-/m1/s1
InChIKeyJAAFPVLXUKHUPZ-UUWRZZSWSA-N
XLogP9.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.79
LogP ≤ 59.84
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-diethoxyphosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane
CID 166637256
(1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine
CID 134924285
[(E)-3-(2-phenylethyl)hex-4-en-1-ynyl]-tri(propan-2-yl)silane
CID 102346323
[phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene
CID 173485287
(1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol
CID 102595949
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
diethyl (5-phenyl-1-trimethylsilylpent-1-yn-3-yl) phosphate
CID 164683915
[methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene
CID 87190158
1-diethoxyphosphoryl-3-phenylpropan-1-ol
CID 12930490
[phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene
CID 59131511
dibenzyl 1-[di(propan-2-yl)amino]ethyl phosphate
CID 174331135
(2R)-4-phenylbutane-2-thiol
CID 28974861

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-bis(phenylmethoxy)phosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane?
The IUPAC name of [(3R)-3-bis(phenylmethoxy)phosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane (CID 166637260) is [(3R)-3-bis(phenylmethoxy)phosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(3R)-3-bis(phenylmethoxy)phosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(3R)-3-bis(phenylmethoxy)phosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane is CC(C)[Si](C#C[C@@H](CCc1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of [(3R)-3-bis(phenylmethoxy)phosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane?
The InChIKey is JAAFPVLXUKHUPZ-UUWRZZSWSA-N. The full InChI is InChI=1S/C34H45O3PSi/c1-28(2)39(29(3)4,30(5)6)25-24-34(23-22-31-16-10-7-11-17-31)38(35,36-26-32-18-12-8-13-19-32)37-27-33-20-14-9-15-21-33/h7-21,28-30,34H,22-23,26-27H2,1-6H3/t34-/m1/s1.
What are the key properties of [(3R)-3-bis(phenylmethoxy)phosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane?
[(3R)-3-bis(phenylmethoxy)phosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane has a molecular weight of 560.79 g/mol, XLogP of 9.84, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-bis(phenylmethoxy)phosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 166637260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).