(2,5-dihydroxypyrrol-1-yl) 2-[4-[bis(2-methylpropyl)silyl]phenyl]acetate

C20H29NO4Si — CID 123456386

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-[4-[bis(2-methylpropyl)silyl]phenyl]acetate
SMILESCC(C)C[SiH](CC(C)C)c1ccc(CC(=O)On2c(O)ccc2O)cc1
InChIInChI=1S/C20H29NO4Si/c1-14(2)12-26(13-15(3)4)17-7-5-16(6-8-17)11-20(24)25-21-18(22)9-10-19(21)23/h5-10,14-15,22-23,26H,11-13H2,1-4H3
InChIKeyZGITZRYOFDJCSS-UHFFFAOYSA-N
MW375.54 g/mol
LogP2.84
Rot. Bonds8

About (2,5-dihydroxypyrrol-1-yl) 2-[4-[bis(2-methylpropyl)silyl]phenyl]acetate

(2,5-dihydroxypyrrol-1-yl) 2-[4-[bis(2-methylpropyl)silyl]phenyl]acetate (PubChem CID 123456386) has the molecular formula C20H29NO4Si and a molecular weight of 375.54 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-[4-[bis(2-methylpropyl)silyl]phenyl]acetate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-[4-[bis(2-methylpropyl)silyl]phenyl]acetate
PubChem CID123456386
Molecular FormulaC20H29NO4Si
Molecular Weight375.54 g/mol
Exact Mass375.19
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-[4-[bis(2-methylpropyl)silyl]phenyl]acetate
SMILESCC(C)C[SiH](CC(C)C)c1ccc(CC(=O)On2c(O)ccc2O)cc1
InChIInChI=1S/C20H29NO4Si/c1-14(2)12-26(13-15(3)4)17-7-5-16(6-8-17)11-20(24)25-21-18(22)9-10-19(21)23/h5-10,14-15,22-23,26H,11-13H2,1-4H3
InChIKeyZGITZRYOFDJCSS-UHFFFAOYSA-N
XLogP2.84
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dihydroxypyrrol-1-yl) 2-[4-(phenylmethoxycarbonylamino)phenyl]acetate
CID 90878567
(2,5-dioxopyrrolidin-1-yl) 2-[4-di(propan-2-yl)silylphenyl]acetate;2-[4-di(propan-2-yl)silylphenyl]acetic acid
CID 159788892
methyl 2-[4-(2-methylpropyl)phenyl]acetate
CID 10987436
4-O-(2,5-dihydroxypyrrol-1-yl) 1-O-(2-methoxyethyl) butanedioate
CID 90907971
(2,5-dihydroxypyrrol-1-yl) (4-methylphenyl)methyl carbonate
CID 91471476
(2,5-dihydroxypyrrol-1-yl) 5-aminopentanoate
CID 91419311
2-methylpropyl 2-(4-aminophenyl)acetate
CID 20504770
(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl) 2-(1H-pyrrol-3-yl)acetate
CID 91054471
bis(2,5-dihydroxypyrrol-1-yl) 2,3,4,5-tetra(propanoyloxy)hexanedioate
CID 123479617
(2,5-dihydroxypyrrol-1-yl) phosphanylformate
CID 123415594
chloromethyl 2-[4-(2-methylpropyl)phenyl]acetate
CID 165349245
ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane
CID 23349504

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-[4-[bis(2-methylpropyl)silyl]phenyl]acetate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-[4-[bis(2-methylpropyl)silyl]phenyl]acetate (CID 123456386) is (2,5-dihydroxypyrrol-1-yl) 2-[4-[bis(2-methylpropyl)silyl]phenyl]acetate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-[4-[bis(2-methylpropyl)silyl]phenyl]acetate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-[4-[bis(2-methylpropyl)silyl]phenyl]acetate is CC(C)C[SiH](CC(C)C)c1ccc(CC(=O)On2c(O)ccc2O)cc1.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-[4-[bis(2-methylpropyl)silyl]phenyl]acetate?
The InChIKey is ZGITZRYOFDJCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4Si/c1-14(2)12-26(13-15(3)4)17-7-5-16(6-8-17)11-20(24)25-21-18(22)9-10-19(21)23/h5-10,14-15,22-23,26H,11-13H2,1-4H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-[4-[bis(2-methylpropyl)silyl]phenyl]acetate?
(2,5-dihydroxypyrrol-1-yl) 2-[4-[bis(2-methylpropyl)silyl]phenyl]acetate has a molecular weight of 375.54 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2-[4-[bis(2-methylpropyl)silyl]phenyl]acetate is sourced from PubChem (CID 123456386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).