1,3-benzodioxol-5-yl-[phenyl-bis(trimethylsilyl)silyl]methanol

C20H30O3Si3 — CID 23583843

IUPAC1,3-benzodioxol-5-yl-[phenyl-bis(trimethylsilyl)silyl]methanol
SMILESC[Si](C)(C)[Si](c1ccccc1)(C(O)c1ccc2c(c1)OCO2)[Si](C)(C)C
InChIInChI=1S/C20H30O3Si3/c1-24(2,3)26(25(4,5)6,17-10-8-7-9-11-17)20(21)16-12-13-18-19(14-16)23-15-22-18/h7-14,20-21H,15H2,1-6H3
InChIKeyUIBNGBQBSUZCKY-UHFFFAOYSA-N
MW402.72 g/mol
LogP4.18
Rot. Bonds5

About 1,3-benzodioxol-5-yl-[phenyl-bis(trimethylsilyl)silyl]methanol

1,3-benzodioxol-5-yl-[phenyl-bis(trimethylsilyl)silyl]methanol (PubChem CID 23583843) has the molecular formula C20H30O3Si3 and a molecular weight of 402.72 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[phenyl-bis(trimethylsilyl)silyl]methanol.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[phenyl-bis(trimethylsilyl)silyl]methanol
PubChem CID23583843
Molecular FormulaC20H30O3Si3
Molecular Weight402.72 g/mol
Exact Mass402.15
IUPAC Name1,3-benzodioxol-5-yl-[phenyl-bis(trimethylsilyl)silyl]methanol
SMILESC[Si](C)(C)[Si](c1ccccc1)(C(O)c1ccc2c(c1)OCO2)[Si](C)(C)C
InChIInChI=1S/C20H30O3Si3/c1-24(2,3)26(25(4,5)6,17-10-8-7-9-11-17)20(21)16-12-13-18-19(14-16)23-15-22-18/h7-14,20-21H,15H2,1-6H3
InChIKeyUIBNGBQBSUZCKY-UHFFFAOYSA-N
XLogP4.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.72
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-benzodioxol-5-yl(trimethylsilyl)methanol
CID 12705761
(1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol
CID 11185720
N-[1-(1,3-benzodioxol-5-yl)ethyl]aniline
CID 42841562
1,3-benzodioxol-5-yl(dimethylamino)methanol
CID 116909534
1,3-benzodioxol-5-yl(bromo)methanol
CID 141431420
(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethanol
CID 6992913
(S)-1,3-benzodioxol-5-yl(diphenylphosphoryl)methanol
CID 1000311
1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol
CID 18972190
(2R,3R)-1-(1,3-benzodioxol-5-yl)-2,3-bis(hydroxymethyl)-4-phenylbutane-1,4-diol
CID 134844140
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-phenylbenzamide
CID 56725272
1-(1,3-benzodioxol-5-yl)-2-bromopropan-1-ol
CID 12779709
(1S,2R)-2-amino-1-(1,3-benzodioxol-5-yl)propan-1-ol
CID 93258024

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[phenyl-bis(trimethylsilyl)silyl]methanol?
The IUPAC name of 1,3-benzodioxol-5-yl-[phenyl-bis(trimethylsilyl)silyl]methanol (CID 23583843) is 1,3-benzodioxol-5-yl-[phenyl-bis(trimethylsilyl)silyl]methanol.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[phenyl-bis(trimethylsilyl)silyl]methanol?
The canonical SMILES for 1,3-benzodioxol-5-yl-[phenyl-bis(trimethylsilyl)silyl]methanol is C[Si](C)(C)[Si](c1ccccc1)(C(O)c1ccc2c(c1)OCO2)[Si](C)(C)C.
What is the InChIKey of 1,3-benzodioxol-5-yl-[phenyl-bis(trimethylsilyl)silyl]methanol?
The InChIKey is UIBNGBQBSUZCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O3Si3/c1-24(2,3)26(25(4,5)6,17-10-8-7-9-11-17)20(21)16-12-13-18-19(14-16)23-15-22-18/h7-14,20-21H,15H2,1-6H3.
What are the key properties of 1,3-benzodioxol-5-yl-[phenyl-bis(trimethylsilyl)silyl]methanol?
1,3-benzodioxol-5-yl-[phenyl-bis(trimethylsilyl)silyl]methanol has a molecular weight of 402.72 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[phenyl-bis(trimethylsilyl)silyl]methanol is sourced from PubChem (CID 23583843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).