[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone

C26H40O4Si2 — CID 10950821

IUPAC[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(O[Si](C)(C)C(C)(C)C)cc(O[Si](C)(C)C(C)(C)C)c2)cc1
InChIInChI=1S/C26H40O4Si2/c1-25(2,3)31(8,9)29-22-16-20(24(27)19-12-14-21(28-7)15-13-19)17-23(18-22)30-32(10,11)26(4,5)6/h12-18H,1-11H3
InChIKeyXFHJEDJFFLSWJR-UHFFFAOYSA-N
MW472.77 g/mol
LogP7.69
Rot. Bonds7

About [3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone

[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone (PubChem CID 10950821) has the molecular formula C26H40O4Si2 and a molecular weight of 472.77 g/mol. Its IUPAC name is [3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone
PubChem CID10950821
Molecular FormulaC26H40O4Si2
Molecular Weight472.77 g/mol
Exact Mass472.25
IUPAC Name[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(O[Si](C)(C)C(C)(C)C)cc(O[Si](C)(C)C(C)(C)C)c2)cc1
InChIInChI=1S/C26H40O4Si2/c1-25(2,3)31(8,9)29-22-16-20(24(27)19-12-14-21(28-7)15-13-19)17-23(18-22)30-32(10,11)26(4,5)6/h12-18H,1-11H3
InChIKeyXFHJEDJFFLSWJR-UHFFFAOYSA-N
XLogP7.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.77
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyphenyl]-3-oxopropanoate
CID 176630796
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
[5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone
CID 102584961
[5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-1-methylimidazol-4-yl]-(4-methoxyphenyl)methanone
CID 101488390
(3,5-dimethoxyphenyl)-(4-iodophenyl)methanone
CID 24723154
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2,4-dimethoxyphenyl)propan-1-one
CID 154718984
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
(4-methoxyphenyl)-(5-methylfuran-3-yl)methanone
CID 114819430
tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane
CID 23553287
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-yn-1-one
CID 86037081
[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone
CID 91744472

Frequently Asked Questions

What is the IUPAC name of [3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone?
The IUPAC name of [3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone (CID 10950821) is [3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cc(O[Si](C)(C)C(C)(C)C)cc(O[Si](C)(C)C(C)(C)C)c2)cc1.
What is the InChIKey of [3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone?
The InChIKey is XFHJEDJFFLSWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O4Si2/c1-25(2,3)31(8,9)29-22-16-20(24(27)19-12-14-21(28-7)15-13-19)17-23(18-22)30-32(10,11)26(4,5)6/h12-18H,1-11H3.
What are the key properties of [3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone?
[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone has a molecular weight of 472.77 g/mol, XLogP of 7.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 10950821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).