methyl 3-[2-(3-methoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate

C11H18O6 — CID 594346

IUPACmethyl 3-[2-(3-methoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate
SMILESCOC(=O)CCC1(CCC(=O)OC)OCCO1
InChIInChI=1S/C11H18O6/c1-14-9(12)3-5-11(16-7-8-17-11)6-4-10(13)15-2/h3-8H2,1-2H3
InChIKeyIQYRDEQSNAARFD-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.64
Rot. Bonds6

About methyl 3-[2-(3-methoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate

methyl 3-[2-(3-methoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate (PubChem CID 594346) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is methyl 3-[2-(3-methoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(3-methoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate
PubChem CID594346
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Namemethyl 3-[2-(3-methoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate
SMILESCOC(=O)CCC1(CCC(=O)OC)OCCO1
InChIInChI=1S/C11H18O6/c1-14-9(12)3-5-11(16-7-8-17-11)6-4-10(13)15-2/h3-8H2,1-2H3
InChIKeyIQYRDEQSNAARFD-UHFFFAOYSA-N
XLogP0.64
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl levulinate propyleneglycol ketal
CID 221634
Ethyl 2-methyl-1,3-dioxolane-2-propionate
CID 70332
Hexadecanoic acid, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester
CID 541241
1,2-Isopropylidene-3-decanoylglycerol
CID 171586
Cyclohexyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate
CID 243715
Methyl 8-[5-(2-acetyloxyoctyl)-1,3-dioxolan-4-yl]octanoate
CID 53317999
Ethyl 8-(2,2-dimethyl-5-octyl-1,3-dioxolan-4-yl)octanoate
CID 53321944
Ethyl tetrahydrofurfurylacetate
CID 263175
1,3-Dioxolane-2-propanoic acid, 2-methyl-, methyl ester
CID 560031
Decanoic acid, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester
CID 623166
1,3-Dioxolane-2,2-dipropanoic acid, diethyl ester
CID 285696
Methyl 3-(5-oxooxolan-2-yl)propanoate
CID 299833

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(3-methoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate?
The IUPAC name of methyl 3-[2-(3-methoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate (CID 594346) is methyl 3-[2-(3-methoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(3-methoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate?
The canonical SMILES for methyl 3-[2-(3-methoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate is COC(=O)CCC1(CCC(=O)OC)OCCO1.
What is the InChIKey of methyl 3-[2-(3-methoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate?
The InChIKey is IQYRDEQSNAARFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O6/c1-14-9(12)3-5-11(16-7-8-17-11)6-4-10(13)15-2/h3-8H2,1-2H3.
What are the key properties of methyl 3-[2-(3-methoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate?
methyl 3-[2-(3-methoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate has a molecular weight of 246.26 g/mol, XLogP of 0.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(3-methoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate is sourced from PubChem (CID 594346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).