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

C19H32O8 — CID 58219219

IUPACethyl 3-[4-[5-(2,2-dimethyl-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)(C)O2)O1
InChIInChI=1S/C19H32O8/c1-7-21-14(20)8-9-19(6)23-11-13(25-19)16-15(26-18(4,5)27-16)12-10-22-17(2,3)24-12/h12-13,15-16H,7-11H2,1-6H3
InChIKeyCLQWWTHUERDBTG-UHFFFAOYSA-N
MW388.46 g/mol
LogP2.13
Rot. Bonds6

About ethyl 3-[4-[5-(2,2-dimethyl-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-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1,3-dioxolan-2-yl]propanoate (PubChem CID 58219219) has the molecular formula C19H32O8 and a molecular weight of 388.46 g/mol. Its IUPAC name is ethyl 3-[4-[5-(2,2-dimethyl-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-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1,3-dioxolan-2-yl]propanoate
PubChem CID58219219
Molecular FormulaC19H32O8
Molecular Weight388.46 g/mol
Exact Mass388.21
IUPAC Nameethyl 3-[4-[5-(2,2-dimethyl-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)(C)O2)O1
InChIInChI=1S/C19H32O8/c1-7-21-14(20)8-9-19(6)23-11-13(25-19)16-15(26-18(4,5)27-16)12-10-22-17(2,3)24-12/h12-13,15-16H,7-11H2,1-6H3
InChIKeyCLQWWTHUERDBTG-UHFFFAOYSA-N
XLogP2.13
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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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-(2,2-dimethyl-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-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1,3-dioxolan-2-yl]propanoate (CID 58219219) is ethyl 3-[4-[5-(2,2-dimethyl-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-(2,2-dimethyl-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-(2,2-dimethyl-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)(C)O2)O1.
What is the InChIKey of ethyl 3-[4-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1,3-dioxolan-2-yl]propanoate?
The InChIKey is CLQWWTHUERDBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O8/c1-7-21-14(20)8-9-19(6)23-11-13(25-19)16-15(26-18(4,5)27-16)12-10-22-17(2,3)24-12/h12-13,15-16H,7-11H2,1-6H3.
What are the key properties of ethyl 3-[4-[5-(2,2-dimethyl-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-(2,2-dimethyl-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 388.46 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[5-(2,2-dimethyl-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 58219219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).