tert-butyl-[[(2R,5R)-5-(diethoxyphosphorylmethoxy)oxolan-2-yl]methoxy]-diphenylsilane

C26H39O6PSi — CID 59795858

IUPACtert-butyl-[[(2R,5R)-5-(diethoxyphosphorylmethoxy)oxolan-2-yl]methoxy]-diphenylsilane
SMILESCCOP(=O)(CO[C@@H]1CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1)OCC
InChIInChI=1S/C26H39O6PSi/c1-6-29-33(27,30-7-2)21-28-25-19-18-22(32-25)20-31-34(26(3,4)5,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,22,25H,6-7,18-21H2,1-5H3/t22-,25+/m1/s1
InChIKeyNSTQKXDXAFJVOP-RDGATRHJSA-N
MW506.65 g/mol
LogP5.31
Rot. Bonds12

About tert-butyl-[[(2R,5R)-5-(diethoxyphosphorylmethoxy)oxolan-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2R,5R)-5-(diethoxyphosphorylmethoxy)oxolan-2-yl]methoxy]-diphenylsilane (PubChem CID 59795858) has the molecular formula C26H39O6PSi and a molecular weight of 506.65 g/mol. Its IUPAC name is tert-butyl-[[(2R,5R)-5-(diethoxyphosphorylmethoxy)oxolan-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,5R)-5-(diethoxyphosphorylmethoxy)oxolan-2-yl]methoxy]-diphenylsilane
PubChem CID59795858
Molecular FormulaC26H39O6PSi
Molecular Weight506.65 g/mol
Exact Mass506.23
IUPAC Nametert-butyl-[[(2R,5R)-5-(diethoxyphosphorylmethoxy)oxolan-2-yl]methoxy]-diphenylsilane
SMILESCCOP(=O)(CO[C@@H]1CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1)OCC
InChIInChI=1S/C26H39O6PSi/c1-6-29-33(27,30-7-2)21-28-25-19-18-22(32-25)20-31-34(26(3,4)5,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,22,25H,6-7,18-21H2,1-5H3/t22-,25+/m1/s1
InChIKeyNSTQKXDXAFJVOP-RDGATRHJSA-N
XLogP5.31
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
(2R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 66663469
(2S,5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde
CID 11070201
tert-butyl-[[(2S,5S)-5-[(Z)-2-iodoethenyl]oxolan-2-yl]methoxy]-diphenylsilane
CID 57408148
(2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxyoxane-3,4-diol
CID 11683418
[(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-decyloxan-3-yl] acetate
CID 101031088
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
CID 142544481
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol
CID 162409626
tert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane
CID 102228442
(2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-2,6-dihydro-1H-pyridin-3-one
CID 101036860

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,5R)-5-(diethoxyphosphorylmethoxy)oxolan-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2R,5R)-5-(diethoxyphosphorylmethoxy)oxolan-2-yl]methoxy]-diphenylsilane (CID 59795858) is tert-butyl-[[(2R,5R)-5-(diethoxyphosphorylmethoxy)oxolan-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2R,5R)-5-(diethoxyphosphorylmethoxy)oxolan-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2R,5R)-5-(diethoxyphosphorylmethoxy)oxolan-2-yl]methoxy]-diphenylsilane is CCOP(=O)(CO[C@@H]1CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1)OCC.
What is the InChIKey of tert-butyl-[[(2R,5R)-5-(diethoxyphosphorylmethoxy)oxolan-2-yl]methoxy]-diphenylsilane?
The InChIKey is NSTQKXDXAFJVOP-RDGATRHJSA-N. The full InChI is InChI=1S/C26H39O6PSi/c1-6-29-33(27,30-7-2)21-28-25-19-18-22(32-25)20-31-34(26(3,4)5,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,22,25H,6-7,18-21H2,1-5H3/t22-,25+/m1/s1.
What are the key properties of tert-butyl-[[(2R,5R)-5-(diethoxyphosphorylmethoxy)oxolan-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2R,5R)-5-(diethoxyphosphorylmethoxy)oxolan-2-yl]methoxy]-diphenylsilane has a molecular weight of 506.65 g/mol, XLogP of 5.31, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,5R)-5-(diethoxyphosphorylmethoxy)oxolan-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 59795858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).