ethyl 3-[4-[5-[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1,3-dioxolan-2-yl]propanoate

C23H38O10 — CID 58219201

IUPACethyl 3-[4-[5-[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1,3-dioxolan-2-yl]propanoate
SMILESCCOC(=O)CCC1(C)OCC(C2OC(C)(C)OC2C2COC(C)(CCC(=O)OCC)O2)O1
InChIInChI=1S/C23H38O10/c1-7-26-17(24)9-11-22(5)28-13-15(30-22)19-20(33-21(3,4)32-19)16-14-29-23(6,31-16)12-10-18(25)27-8-2/h15-16,19-20H,7-14H2,1-6H3
InChIKeyXXVCRHIFCVIVNO-UHFFFAOYSA-N
MW474.55 g/mol
LogP2.46
Rot. Bonds10

About ethyl 3-[4-[5-[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1,3-dioxolan-2-yl]propanoate

ethyl 3-[4-[5-[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1,3-dioxolan-2-yl]propanoate (PubChem CID 58219201) has the molecular formula C23H38O10 and a molecular weight of 474.55 g/mol. Its IUPAC name is ethyl 3-[4-[5-[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1,3-dioxolan-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-[5-[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1,3-dioxolan-2-yl]propanoate
PubChem CID58219201
Molecular FormulaC23H38O10
Molecular Weight474.55 g/mol
Exact Mass474.25
IUPAC Nameethyl 3-[4-[5-[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1,3-dioxolan-2-yl]propanoate
SMILESCCOC(=O)CCC1(C)OCC(C2OC(C)(C)OC2C2COC(C)(CCC(=O)OCC)O2)O1
InChIInChI=1S/C23H38O10/c1-7-26-17(24)9-11-22(5)28-13-15(30-22)19-20(33-21(3,4)32-19)16-14-29-23(6,31-16)12-10-18(25)27-8-2/h15-16,19-20H,7-14H2,1-6H3
InChIKeyXXVCRHIFCVIVNO-UHFFFAOYSA-N
XLogP2.46
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethyl 3-[4-[5-[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1,3-dioxolan-2-yl]propanoate 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

1,3-Dioxolane-2-propanoic acid, 2,4-dimethyl-, 2,2'-(1,4-butanediyl) ester
CID 69096630
alpha-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-, butanoate
CID 3066319
alpha-D-Glucofuranose, 1,2-O-(1-methylethylidene)-, tributanoate
CID 3079327
[5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] butanoate
CID 364051
[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 4-fluoropentanoate
CID 102293596
[(3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 4-fluoropentanoate
CID 154713897
1,2:3,4-Di-O-isopropylidene-5,6-di-O-acetyl-D-mannitol
CID 568192
tert-butyl 2-[(4R,5R)-4,5-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]acetate
CID 11395118
Mannitol, 3,4-diacetoxy-1,2:5,6-di-O-isopropylidene-
CID 538771
(1S,12S,16S,27S)-14,14,29,29-tetramethyl-3,10,13,15,18,25,28,30-octaoxatricyclo[25.3.0.012,16]triacontane-4,9,19,24-tetrone
CID 101078668
(1S,11S,15S,25S)-13,13,27,27-tetramethyl-3,9,12,14,17,23,26,28-octaoxatricyclo[23.3.0.011,15]octacosane-4,8,18,22-tetrone
CID 101078669
Methyl 8-[5-[(2,2-dimethyl-5-pentyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]octanoate
CID 18980673

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[5-[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1,3-dioxolan-2-yl]propanoate?
The IUPAC name of ethyl 3-[4-[5-[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1,3-dioxolan-2-yl]propanoate (CID 58219201) is ethyl 3-[4-[5-[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1,3-dioxolan-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[4-[5-[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1,3-dioxolan-2-yl]propanoate?
The canonical SMILES for ethyl 3-[4-[5-[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1,3-dioxolan-2-yl]propanoate is CCOC(=O)CCC1(C)OCC(C2OC(C)(C)OC2C2COC(C)(CCC(=O)OCC)O2)O1.
What is the InChIKey of ethyl 3-[4-[5-[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1,3-dioxolan-2-yl]propanoate?
The InChIKey is XXVCRHIFCVIVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O10/c1-7-26-17(24)9-11-22(5)28-13-15(30-22)19-20(33-21(3,4)32-19)16-14-29-23(6,31-16)12-10-18(25)27-8-2/h15-16,19-20H,7-14H2,1-6H3.
What are the key properties of ethyl 3-[4-[5-[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1,3-dioxolan-2-yl]propanoate?
ethyl 3-[4-[5-[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1,3-dioxolan-2-yl]propanoate has a molecular weight of 474.55 g/mol, XLogP of 2.46, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[5-[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1,3-dioxolan-2-yl]propanoate is sourced from PubChem (CID 58219201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).