(2,5-dioxopyrrolidin-1-yl) 2-[4-di(propan-2-yl)silylphenyl]acetate;2-[4-di(propan-2-yl)silylphenyl]acetic acid

C32H47NO6Si2 — CID 159788892

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[4-di(propan-2-yl)silylphenyl]acetate;2-[4-di(propan-2-yl)silylphenyl]acetic acid
SMILESCC(C)[SiH](c1ccc(CC(=O)O)cc1)C(C)C.CC(C)[SiH](c1ccc(CC(=O)ON2C(=O)CCC2=O)cc1)C(C)C
InChIInChI=1S/C18H25NO4Si.C14H22O2Si/c1-12(2)24(13(3)4)15-7-5-14(6-8-15)11-18(22)23-19-16(20)9-10-17(19)21;1-10(2)17(11(3)4)13-7-5-12(6-8-13)9-14(15)16/h5-8,12-13,24H,9-11H2,1-4H3;5-8,10-11,17H,9H2,1-4H3,(H,15,16)
InChIKeyNIHMQJNJVUJQDO-UHFFFAOYSA-N
MW597.90 g/mol
LogP4.66
Rot. Bonds11

About (2,5-dioxopyrrolidin-1-yl) 2-[4-di(propan-2-yl)silylphenyl]acetate;2-[4-di(propan-2-yl)silylphenyl]acetic acid

(2,5-dioxopyrrolidin-1-yl) 2-[4-di(propan-2-yl)silylphenyl]acetate;2-[4-di(propan-2-yl)silylphenyl]acetic acid (PubChem CID 159788892) has the molecular formula C32H47NO6Si2 and a molecular weight of 597.90 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[4-di(propan-2-yl)silylphenyl]acetate;2-[4-di(propan-2-yl)silylphenyl]acetic acid.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[4-di(propan-2-yl)silylphenyl]acetate;2-[4-di(propan-2-yl)silylphenyl]acetic acid
PubChem CID159788892
Molecular FormulaC32H47NO6Si2
Molecular Weight597.90 g/mol
Exact Mass597.29
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[4-di(propan-2-yl)silylphenyl]acetate;2-[4-di(propan-2-yl)silylphenyl]acetic acid
SMILESCC(C)[SiH](c1ccc(CC(=O)O)cc1)C(C)C.CC(C)[SiH](c1ccc(CC(=O)ON2C(=O)CCC2=O)cc1)C(C)C
InChIInChI=1S/C18H25NO4Si.C14H22O2Si/c1-12(2)24(13(3)4)15-7-5-14(6-8-15)11-18(22)23-19-16(20)9-10-17(19)21;1-10(2)17(11(3)4)13-7-5-12(6-8-13)9-14(15)16/h5-8,12-13,24H,9-11H2,1-4H3;5-8,10-11,17H,9H2,1-4H3,(H,15,16)
InChIKeyNIHMQJNJVUJQDO-UHFFFAOYSA-N
XLogP4.66
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.90
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-(4-iodophenyl)acetate;1-hydroxypyrrolidine-2,5-dione;2-(4-iodophenyl)acetic acid
CID 159043803
(2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate
CID 19969059
2-[4-di(propan-2-yl)silylphenyl]acetic acid;2-[4-[hydroxy-di(propan-2-yl)silyl]phenyl]acetic acid
CID 158654561
[3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]-di(propan-2-yl)sulfanium
CID 143652418
(2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate
CID 13421299
chloroform;(2,5-dioxopyrrolidin-1-yl) 2-(1H-pyrrol-3-yl)acetate;1-hydroxypyrrolidine-2,5-dione;2-(1H-pyrrol-3-yl)acetic acid
CID 158864513
(2,5-dioxopyrrolidin-1-yl) 2-(6-phenyl-3-pyridinyl)acetate
CID 176648871
(2,5-dioxopyrrolidin-1-yl) 3-[4-(2-oxobutyl)phenyl]propanoate
CID 160984020
(2,5-dioxopyrrolidin-1-yl) 2-[4-[(E)-2-(4-hydroxy-3-methylphenyl)ethenyl]phenyl]acetate
CID 146639752
(2,5-dioxopyrrolidin-1-yl) 3-(4-methylphenyl)propanoate
CID 88510244
(2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 10518539
2-[4-[1-[4-(carboxymethyl)phenyl]-2,7-dioxo-1,6-diazaspiro[4.4]nonan-6-yl]phenyl]acetic acid
CID 54162157

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[4-di(propan-2-yl)silylphenyl]acetate;2-[4-di(propan-2-yl)silylphenyl]acetic acid?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[4-di(propan-2-yl)silylphenyl]acetate;2-[4-di(propan-2-yl)silylphenyl]acetic acid (CID 159788892) is (2,5-dioxopyrrolidin-1-yl) 2-[4-di(propan-2-yl)silylphenyl]acetate;2-[4-di(propan-2-yl)silylphenyl]acetic acid.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[4-di(propan-2-yl)silylphenyl]acetate;2-[4-di(propan-2-yl)silylphenyl]acetic acid?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[4-di(propan-2-yl)silylphenyl]acetate;2-[4-di(propan-2-yl)silylphenyl]acetic acid is CC(C)[SiH](c1ccc(CC(=O)O)cc1)C(C)C.CC(C)[SiH](c1ccc(CC(=O)ON2C(=O)CCC2=O)cc1)C(C)C.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[4-di(propan-2-yl)silylphenyl]acetate;2-[4-di(propan-2-yl)silylphenyl]acetic acid?
The InChIKey is NIHMQJNJVUJQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4Si.C14H22O2Si/c1-12(2)24(13(3)4)15-7-5-14(6-8-15)11-18(22)23-19-16(20)9-10-17(19)21;1-10(2)17(11(3)4)13-7-5-12(6-8-13)9-14(15)16/h5-8,12-13,24H,9-11H2,1-4H3;5-8,10-11,17H,9H2,1-4H3,(H,15,16).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[4-di(propan-2-yl)silylphenyl]acetate;2-[4-di(propan-2-yl)silylphenyl]acetic acid?
(2,5-dioxopyrrolidin-1-yl) 2-[4-di(propan-2-yl)silylphenyl]acetate;2-[4-di(propan-2-yl)silylphenyl]acetic acid has a molecular weight of 597.90 g/mol, XLogP of 4.66, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[4-di(propan-2-yl)silylphenyl]acetate;2-[4-di(propan-2-yl)silylphenyl]acetic acid is sourced from PubChem (CID 159788892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).