2-trimethylsilylethyl 5-hydroxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate

C19H30O5Si — CID 58979178

IUPAC2-trimethylsilylethyl 5-hydroxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate
SMILESCC(C)(C)OC(=O)CCc1ccc(O)cc1C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C19H30O5Si/c1-19(2,3)24-17(21)10-8-14-7-9-15(20)13-16(14)18(22)23-11-12-25(4,5)6/h7,9,13,20H,8,10-12H2,1-6H3
InChIKeyKVDYXOSYZBESMA-UHFFFAOYSA-N
MW366.53 g/mol
LogP4.16
Rot. Bonds7

About 2-trimethylsilylethyl 5-hydroxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate

2-trimethylsilylethyl 5-hydroxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate (PubChem CID 58979178) has the molecular formula C19H30O5Si and a molecular weight of 366.53 g/mol. Its IUPAC name is 2-trimethylsilylethyl 5-hydroxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 5-hydroxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate
PubChem CID58979178
Molecular FormulaC19H30O5Si
Molecular Weight366.53 g/mol
Exact Mass366.19
IUPAC Name2-trimethylsilylethyl 5-hydroxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate
SMILESCC(C)(C)OC(=O)CCc1ccc(O)cc1C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C19H30O5Si/c1-19(2,3)24-17(21)10-8-14-7-9-15(20)13-16(14)18(22)23-11-12-25(4,5)6/h7,9,13,20H,8,10-12H2,1-6H3
InChIKeyKVDYXOSYZBESMA-UHFFFAOYSA-N
XLogP4.16
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-trimethylsilylethyl 5-hydroxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-(4-hydroxy-2-nitrophenyl)propanoate
CID 546506
tert-butyl 3-[2-(aminomethyl)-4-methoxyphenyl]propanoate
CID 142193799
2-trimethylsilylethyl 4-hydroxybenzoate
CID 10847549
tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]propanoate
CID 139988184
ethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate
CID 134641178
tert-butyl 2-amino-5-hydroxybenzoate
CID 61405747
2-trimethylsilylethyl 2-aminobenzoate
CID 154264553
2-trimethylsilylethyl 2-hydroxy-3-methylbenzoate
CID 158104878
trifluoro-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]boranuide
CID 167741397
tert-butyl 3-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]propanoate
CID 140529784
tert-butyl 3-[4-(N'-hydroxycarbamimidoyl)-2-methylphenyl]propanoate
CID 86623613
tert-butyl 3-[2-methyl-5-(tritiooxymethyl)phenyl]propanoate
CID 58798427

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 5-hydroxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate?
The IUPAC name of 2-trimethylsilylethyl 5-hydroxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate (CID 58979178) is 2-trimethylsilylethyl 5-hydroxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate.
What is the SMILES notation for 2-trimethylsilylethyl 5-hydroxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate?
The canonical SMILES for 2-trimethylsilylethyl 5-hydroxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate is CC(C)(C)OC(=O)CCc1ccc(O)cc1C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl 5-hydroxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate?
The InChIKey is KVDYXOSYZBESMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O5Si/c1-19(2,3)24-17(21)10-8-14-7-9-15(20)13-16(14)18(22)23-11-12-25(4,5)6/h7,9,13,20H,8,10-12H2,1-6H3.
What are the key properties of 2-trimethylsilylethyl 5-hydroxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate?
2-trimethylsilylethyl 5-hydroxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate has a molecular weight of 366.53 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 5-hydroxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate is sourced from PubChem (CID 58979178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).