(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-diphenylphosphoryl-1-phenylpropan-2-ol

C27H35O3PSi — CID 24813675

IUPAC(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-diphenylphosphoryl-1-phenylpropan-2-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H](c1ccccc1)[C@H](O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H35O3PSi/c1-27(2,3)32(4,5)30-26(22-15-9-6-10-16-22)25(28)21-31(29,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-20,25-26,28H,21H2,1-5H3/t25-,26+/m1/s1
InChIKeyRJOYIDPMMMXJRP-FTJBHMTQSA-N
MW466.63 g/mol
LogP6.12
Rot. Bonds8

About (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-diphenylphosphoryl-1-phenylpropan-2-ol

(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-diphenylphosphoryl-1-phenylpropan-2-ol (PubChem CID 24813675) has the molecular formula C27H35O3PSi and a molecular weight of 466.63 g/mol. Its IUPAC name is (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-diphenylphosphoryl-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-diphenylphosphoryl-1-phenylpropan-2-ol
PubChem CID24813675
Molecular FormulaC27H35O3PSi
Molecular Weight466.63 g/mol
Exact Mass466.21
IUPAC Name(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-diphenylphosphoryl-1-phenylpropan-2-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H](c1ccccc1)[C@H](O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H35O3PSi/c1-27(2,3)32(4,5)30-26(22-15-9-6-10-16-22)25(28)21-31(29,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-20,25-26,28H,21H2,1-5H3/t25-,26+/m1/s1
InChIKeyRJOYIDPMMMXJRP-FTJBHMTQSA-N
XLogP6.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-yn-2-ol
CID 11119358
ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
CID 132548533
(2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]hex-5-ynoic acid
CID 140540638
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-3-phenylpropanoate
CID 101058380
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dichloro-2-methyl-1-phenylpentan-3-one
CID 15444578
methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate
CID 101058399
tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(4-phenylphenyl)ethoxy]-dimethylsilane
CID 11467474
(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine
CID 122223185
1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-phenyl-5-trimethylsilylpent-4-yn-2-ol
CID 10667277
tert-butyl (2S,3S)-2-benzamido-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate
CID 11590604
[(3R)-4-diphenylphosphoryl-2,3-dimethylbutan-2-yl]oxy-trimethylsilane
CID 45073674
1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine
CID 66693822

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-diphenylphosphoryl-1-phenylpropan-2-ol?
The IUPAC name of (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-diphenylphosphoryl-1-phenylpropan-2-ol (CID 24813675) is (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-diphenylphosphoryl-1-phenylpropan-2-ol.
What is the SMILES notation for (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-diphenylphosphoryl-1-phenylpropan-2-ol?
The canonical SMILES for (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-diphenylphosphoryl-1-phenylpropan-2-ol is CC(C)(C)[Si](C)(C)O[C@@H](c1ccccc1)[C@H](O)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-diphenylphosphoryl-1-phenylpropan-2-ol?
The InChIKey is RJOYIDPMMMXJRP-FTJBHMTQSA-N. The full InChI is InChI=1S/C27H35O3PSi/c1-27(2,3)32(4,5)30-26(22-15-9-6-10-16-22)25(28)21-31(29,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-20,25-26,28H,21H2,1-5H3/t25-,26+/m1/s1.
What are the key properties of (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-diphenylphosphoryl-1-phenylpropan-2-ol?
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-diphenylphosphoryl-1-phenylpropan-2-ol has a molecular weight of 466.63 g/mol, XLogP of 6.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-diphenylphosphoryl-1-phenylpropan-2-ol is sourced from PubChem (CID 24813675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).