CID 88572141

C24H42BO5PSi — CID 88572141

IUPAC—
SMILES[B][C@@H]1O[C@](CC)(CCP(C)(=O)OCC)[C@H](OCc2ccccc2)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H42BO5PSi/c1-9-24(16-17-31(6,26)28-10-2)21(27-18-19-14-12-11-13-15-19)20(22(25)29-24)30-32(7,8)23(3,4)5/h11-15,20-22H,9-10,16-18H2,1-8H3/t20?,21-,22-,24-,31?/m1/s1
InChIKeyOTTHWDLKIVYJCF-PNNDOJAFSA-N
MW480.47 g/mol
LogP5.97
Rot. Bonds11

About CID 88572141

CID 88572141 (PubChem CID 88572141) has the molecular formula C24H42BO5PSi and a molecular weight of 480.47 g/mol.

Molecular Properties

Compound NameCID 88572141
PubChem CID88572141
Molecular FormulaC24H42BO5PSi
Molecular Weight480.47 g/mol
Exact Mass480.26
IUPAC Name—
SMILES[B][C@@H]1O[C@](CC)(CCP(C)(=O)OCC)[C@H](OCc2ccccc2)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H42BO5PSi/c1-9-24(16-17-31(6,26)28-10-2)21(27-18-19-14-12-11-13-15-19)20(22(25)29-24)30-32(7,8)23(3,4)5/h11-15,20-22H,9-10,16-18H2,1-8H3/t20?,21-,22-,24-,31?/m1/s1
InChIKeyOTTHWDLKIVYJCF-PNNDOJAFSA-N
XLogP5.97
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.47
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[(1S,3R,5S,6R,7R,8S,9S)-8-(diethoxyphosphorylmethyl)-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-yl]oxy]-dimethylsilane
CID 57343236
(1R,5R,6R,7S,8S,9S)-3-butyl-8-[tert-butyl(dimethyl)silyl]oxy-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol
CID 102036233
CID 146029384
CID 146029384
[(2S,3S,5R,6R)-2,6-diacetyloxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexyl] acetate
CID 10031871
tert-butyl-[[(8R,9S,10S,11R)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-bis(phenylmethoxy)-1,5-dithiaspiro[5.6]dodecan-11-yl]oxy]-dimethylsilane
CID 11319886
2-[ethoxy(methyl)phosphoryl]ethylbenzene
CID 141455877
[(8R,9S,10R,11S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-bis(phenylmethoxy)-1,5-dithiaspiro[5.5]undecan-11-yl]methanol
CID 100948352
(1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol
CID 10616882
(3R,4S,5S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-bis(phenylmethoxy)cycloheptan-1-ol
CID 101106224
(2S,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-phenylmethoxyoxan-3-ol
CID 14160927
CID 158872539
CID 158872539
[(3aR,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 102183815

Frequently Asked Questions

What is the IUPAC name of CID 88572141?
The IUPAC name of CID 88572141 (CID 88572141) is not available.
What is the SMILES notation for CID 88572141?
The canonical SMILES for CID 88572141 is [B][C@@H]1O[C@](CC)(CCP(C)(=O)OCC)[C@H](OCc2ccccc2)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of CID 88572141?
The InChIKey is OTTHWDLKIVYJCF-PNNDOJAFSA-N. The full InChI is InChI=1S/C24H42BO5PSi/c1-9-24(16-17-31(6,26)28-10-2)21(27-18-19-14-12-11-13-15-19)20(22(25)29-24)30-32(7,8)23(3,4)5/h11-15,20-22H,9-10,16-18H2,1-8H3/t20?,21-,22-,24-,31?/m1/s1.
What are the key properties of CID 88572141?
CID 88572141 has a molecular weight of 480.47 g/mol, XLogP of 5.97, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88572141 is sourced from PubChem (CID 88572141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).