CID 146029384

C37H53BO5Si2 — CID 146029384

IUPAC—
SMILES[B][C@@H]1O[C@@](CO)(COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C37H53BO5Si2/c1-34(2,3)44(7,8)42-31-32(43-45(9,10)35(4,5)6)36(26-39,41-33(31)38)27-40-37(28-20-14-11-15-21-28,29-22-16-12-17-23-29)30-24-18-13-19-25-30/h11-25,31-33,39H,26-27H2,1-10H3/t31-,32+,33-,36+/m1/s1
InChIKeyGVWYIKITQNVYCV-ZHYHXGNXSA-N
MW644.81 g/mol
LogP8.03
Rot. Bonds11

About CID 146029384

CID 146029384 (PubChem CID 146029384) has the molecular formula C37H53BO5Si2 and a molecular weight of 644.81 g/mol.

Molecular Properties

Compound NameCID 146029384
PubChem CID146029384
Molecular FormulaC37H53BO5Si2
Molecular Weight644.81 g/mol
Exact Mass644.35
IUPAC Name—
SMILES[B][C@@H]1O[C@@](CO)(COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C37H53BO5Si2/c1-34(2,3)44(7,8)42-31-32(43-45(9,10)35(4,5)6)36(26-39,41-33(31)38)27-40-37(28-20-14-11-15-21-28,29-22-16-12-17-23-29)30-24-18-13-19-25-30/h11-25,31-33,39H,26-27H2,1-10H3/t31-,32+,33-,36+/m1/s1
InChIKeyGVWYIKITQNVYCV-ZHYHXGNXSA-N
XLogP8.03
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.81
LogP ≤ 58.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 146157216
1-[(2R,3S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 169068671
[(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(trityloxymethyl)cyclopentyl]methanol
CID 101470588
CID 88572294
CID 88572294
[(2R,3R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(5-fluoropyrimidin-2-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 175951331
(1S)-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(trityloxymethyl)oxolan-2-yl]ethanol
CID 11285204
CID 88572141
CID 88572141
(1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol
CID 46928266
1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70641681
(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylselanyl-6-(trityloxymethyl)oxan-3-ol
CID 101051182
tert-butyl-dimethyl-[1-(2-trityloxyethyl)piperidin-4-yl]oxysilane
CID 169157215
(3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,4-diol
CID 69329004

Frequently Asked Questions

What is the IUPAC name of CID 146029384?
The IUPAC name of CID 146029384 (CID 146029384) is not available.
What is the SMILES notation for CID 146029384?
The canonical SMILES for CID 146029384 is [B][C@@H]1O[C@@](CO)(COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of CID 146029384?
The InChIKey is GVWYIKITQNVYCV-ZHYHXGNXSA-N. The full InChI is InChI=1S/C37H53BO5Si2/c1-34(2,3)44(7,8)42-31-32(43-45(9,10)35(4,5)6)36(26-39,41-33(31)38)27-40-37(28-20-14-11-15-21-28,29-22-16-12-17-23-29)30-24-18-13-19-25-30/h11-25,31-33,39H,26-27H2,1-10H3/t31-,32+,33-,36+/m1/s1.
What are the key properties of CID 146029384?
CID 146029384 has a molecular weight of 644.81 g/mol, XLogP of 8.03, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146029384 is sourced from PubChem (CID 146029384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).