[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone

C25H38O3Si2 — CID 91744472

IUPAC[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C(=O)c2ccccc2)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C25H38O3Si2/c1-24(2,3)29(7,8)27-20-16-17-21(23(26)19-14-12-11-13-15-19)22(18-20)28-30(9,10)25(4,5)6/h11-18H,1-10H3
InChIKeyKWUFIVDDPOIEIN-UHFFFAOYSA-N
MW442.75 g/mol
LogP7.69
Rot. Bonds6

About [2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone

[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone (PubChem CID 91744472) has the molecular formula C25H38O3Si2 and a molecular weight of 442.75 g/mol. Its IUPAC name is [2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone
PubChem CID91744472
Molecular FormulaC25H38O3Si2
Molecular Weight442.75 g/mol
Exact Mass442.24
IUPAC Name[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C(=O)c2ccccc2)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C25H38O3Si2/c1-24(2,3)29(7,8)27-20-16-17-21(23(26)19-14-12-11-13-15-19)22(18-20)28-30(9,10)25(4,5)6/h11-18H,1-10H3
InChIKeyKWUFIVDDPOIEIN-UHFFFAOYSA-N
XLogP7.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.75
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[tert-butyl(dimethyl)silyl]oxy-4-octoxyphenyl]-phenylmethanone
CID 171060871
2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-N,N-diethylbenzamide
CID 11419229
[2-amino-5-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-methylphenyl)methanone
CID 68830331
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate
CID 91737509
[[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-methoxymethylidene]chromium
CID 154709445
2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid
CID 175152418
4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid
CID 167716868
2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoic acid
CID 167731636
[2,4-bis(prop-1-en-2-yloxy)phenyl]-phenylmethanone
CID 22935826
[4-benzoyl-3-(2,2,2-trifluoroacetyl)oxyphenyl] 2,2,2-trifluoroacetate
CID 91703647
[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone
CID 10950821
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one
CID 15049953

Frequently Asked Questions

What is the IUPAC name of [2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone?
The IUPAC name of [2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone (CID 91744472) is [2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone.
What is the SMILES notation for [2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone?
The canonical SMILES for [2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone is CC(C)(C)[Si](C)(C)Oc1ccc(C(=O)c2ccccc2)c(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of [2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone?
The InChIKey is KWUFIVDDPOIEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O3Si2/c1-24(2,3)29(7,8)27-20-16-17-21(23(26)19-14-12-11-13-15-19)22(18-20)28-30(9,10)25(4,5)6/h11-18H,1-10H3.
What are the key properties of [2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone?
[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone has a molecular weight of 442.75 g/mol, XLogP of 7.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone is sourced from PubChem (CID 91744472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).