3-ethyl-1,2-bis(4-methoxyphenyl)-4-[4-tri(propan-2-yl)silyloxyphenyl]butane-1,4-dione

C35H46O5Si — CID 101121470

IUPAC3-ethyl-1,2-bis(4-methoxyphenyl)-4-[4-tri(propan-2-yl)silyloxyphenyl]butane-1,4-dione
SMILESCCC(C(=O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1)C(C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C35H46O5Si/c1-10-32(34(36)27-15-21-31(22-16-27)40-41(23(2)3,24(4)5)25(6)7)33(26-11-17-29(38-8)18-12-26)35(37)28-13-19-30(39-9)20-14-28/h11-25,32-33H,10H2,1-9H3
InChIKeyRGMXLAROCVGYDA-UHFFFAOYSA-N
MW574.83 g/mol
LogP9.13
Rot. Bonds14

About 3-ethyl-1,2-bis(4-methoxyphenyl)-4-[4-tri(propan-2-yl)silyloxyphenyl]butane-1,4-dione

3-ethyl-1,2-bis(4-methoxyphenyl)-4-[4-tri(propan-2-yl)silyloxyphenyl]butane-1,4-dione (PubChem CID 101121470) has the molecular formula C35H46O5Si and a molecular weight of 574.83 g/mol. Its IUPAC name is 3-ethyl-1,2-bis(4-methoxyphenyl)-4-[4-tri(propan-2-yl)silyloxyphenyl]butane-1,4-dione.

Molecular Properties

Compound Name3-ethyl-1,2-bis(4-methoxyphenyl)-4-[4-tri(propan-2-yl)silyloxyphenyl]butane-1,4-dione
PubChem CID101121470
Molecular FormulaC35H46O5Si
Molecular Weight574.83 g/mol
Exact Mass574.31
IUPAC Name3-ethyl-1,2-bis(4-methoxyphenyl)-4-[4-tri(propan-2-yl)silyloxyphenyl]butane-1,4-dione
SMILESCCC(C(=O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1)C(C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C35H46O5Si/c1-10-32(34(36)27-15-21-31(22-16-27)40-41(23(2)3,24(4)5)25(6)7)33(26-11-17-29(38-8)18-12-26)35(37)28-13-19-30(39-9)20-14-28/h11-25,32-33H,10H2,1-9H3
InChIKeyRGMXLAROCVGYDA-UHFFFAOYSA-N
XLogP9.13
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.83
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-ethyl-1,2-bis(4-methoxyphenyl)-4-[4-tri(propan-2-yl)silyloxyphenyl]butane-1,4-dione with MolForge

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Related Compounds

(2S,3R)-2-ethyl-1,3-bis(4-methoxyphenyl)pentan-1-one
CID 124640163
(2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one
CID 125480635
1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 12600283
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one
CID 102032206
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
2-ethyl-1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 102585480
1,2-bis(4-methoxyphenyl)hexane-1,3-dione
CID 11174782
2-bromo-1-(4-methoxyphenyl)butan-1-one
CID 3156988
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
2-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylbutane-1,4-dione
CID 122221336
2-(ethylamino)-1-(4-methoxyphenyl)-3-methylbutan-1-one
CID 112512226
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2-bis(4-methoxyphenyl)-4-[4-tri(propan-2-yl)silyloxyphenyl]butane-1,4-dione?
The IUPAC name of 3-ethyl-1,2-bis(4-methoxyphenyl)-4-[4-tri(propan-2-yl)silyloxyphenyl]butane-1,4-dione (CID 101121470) is 3-ethyl-1,2-bis(4-methoxyphenyl)-4-[4-tri(propan-2-yl)silyloxyphenyl]butane-1,4-dione.
What is the SMILES notation for 3-ethyl-1,2-bis(4-methoxyphenyl)-4-[4-tri(propan-2-yl)silyloxyphenyl]butane-1,4-dione?
The canonical SMILES for 3-ethyl-1,2-bis(4-methoxyphenyl)-4-[4-tri(propan-2-yl)silyloxyphenyl]butane-1,4-dione is CCC(C(=O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1)C(C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 3-ethyl-1,2-bis(4-methoxyphenyl)-4-[4-tri(propan-2-yl)silyloxyphenyl]butane-1,4-dione?
The InChIKey is RGMXLAROCVGYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46O5Si/c1-10-32(34(36)27-15-21-31(22-16-27)40-41(23(2)3,24(4)5)25(6)7)33(26-11-17-29(38-8)18-12-26)35(37)28-13-19-30(39-9)20-14-28/h11-25,32-33H,10H2,1-9H3.
What are the key properties of 3-ethyl-1,2-bis(4-methoxyphenyl)-4-[4-tri(propan-2-yl)silyloxyphenyl]butane-1,4-dione?
3-ethyl-1,2-bis(4-methoxyphenyl)-4-[4-tri(propan-2-yl)silyloxyphenyl]butane-1,4-dione has a molecular weight of 574.83 g/mol, XLogP of 9.13, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2-bis(4-methoxyphenyl)-4-[4-tri(propan-2-yl)silyloxyphenyl]butane-1,4-dione is sourced from PubChem (CID 101121470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).