CID 59483239

C25H31BF2O4Si — CID 59483239

IUPAC—
SMILES[B][C@@H]1O[C@](CC=C(F)F)(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC)[C@H]1O
InChIInChI=1S/C25H31BF2O4Si/c1-24(2,3)33(18-11-7-5-8-12-18,19-13-9-6-10-14-19)31-17-25(16-15-20(27)28)22(30-4)21(29)23(26)32-25/h5-15,21-23,29H,16-17H2,1-4H3/t21-,22+,23-,25-/m1/s1
InChIKeyJTNLHUOHMHXHPJ-STAYPELNSA-N
MW472.41 g/mol
LogP3.37
Rot. Bonds8

About CID 59483239

CID 59483239 (PubChem CID 59483239) has the molecular formula C25H31BF2O4Si and a molecular weight of 472.41 g/mol.

Molecular Properties

Compound NameCID 59483239
PubChem CID59483239
Molecular FormulaC25H31BF2O4Si
Molecular Weight472.41 g/mol
Exact Mass472.21
IUPAC Name—
SMILES[B][C@@H]1O[C@](CC=C(F)F)(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC)[C@H]1O
InChIInChI=1S/C25H31BF2O4Si/c1-24(2,3)33(18-11-7-5-8-12-18,19-13-9-6-10-14-19)31-17-25(16-15-20(27)28)22(30-4)21(29)23(26)32-25/h5-15,21-23,29H,16-17H2,1-4H3/t21-,22+,23-,25-/m1/s1
InChIKeyJTNLHUOHMHXHPJ-STAYPELNSA-N
XLogP3.37
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 59483029
CID 59483029
(2S,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-2-methoxyoxolan-3-ol
CID 99772772
[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-(2-methylprop-2-enyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 59483252
(2R,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 11059112
(2S,3R,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 124925214
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 3319542
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol
CID 10692836
(2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol
CID 10938882
(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
CID 171125092
4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol
CID 66982894

Frequently Asked Questions

What is the IUPAC name of CID 59483239?
The IUPAC name of CID 59483239 (CID 59483239) is not available.
What is the SMILES notation for CID 59483239?
The canonical SMILES for CID 59483239 is [B][C@@H]1O[C@](CC=C(F)F)(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC)[C@H]1O.
What is the InChIKey of CID 59483239?
The InChIKey is JTNLHUOHMHXHPJ-STAYPELNSA-N. The full InChI is InChI=1S/C25H31BF2O4Si/c1-24(2,3)33(18-11-7-5-8-12-18,19-13-9-6-10-14-19)31-17-25(16-15-20(27)28)22(30-4)21(29)23(26)32-25/h5-15,21-23,29H,16-17H2,1-4H3/t21-,22+,23-,25-/m1/s1.
What are the key properties of CID 59483239?
CID 59483239 has a molecular weight of 472.41 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59483239 is sourced from PubChem (CID 59483239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).