methyl 3-(2,5-dimethoxyoxolan-2-yl)propanoate

C10H18O5 — CID 102567646

IUPACmethyl 3-(2,5-dimethoxyoxolan-2-yl)propanoate
SMILESCOC(=O)CCC1(OC)CCC(OC)O1
InChIInChI=1S/C10H18O5/c1-12-8(11)4-6-10(14-3)7-5-9(13-2)15-10/h9H,4-7H2,1-3H3
InChIKeyZYGXMEBLDCUMTB-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.07
Rot. Bonds5

About methyl 3-(2,5-dimethoxyoxolan-2-yl)propanoate

methyl 3-(2,5-dimethoxyoxolan-2-yl)propanoate (PubChem CID 102567646) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is methyl 3-(2,5-dimethoxyoxolan-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,5-dimethoxyoxolan-2-yl)propanoate
PubChem CID102567646
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Namemethyl 3-(2,5-dimethoxyoxolan-2-yl)propanoate
SMILESCOC(=O)CCC1(OC)CCC(OC)O1
InChIInChI=1S/C10H18O5/c1-12-8(11)4-6-10(14-3)7-5-9(13-2)15-10/h9H,4-7H2,1-3H3
InChIKeyZYGXMEBLDCUMTB-UHFFFAOYSA-N
XLogP1.07
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 9,9-diethoxynonanoate
CID 568557
Ethyl 9,9-dimethoxynonanoate
CID 129727304
Ethyl tetrahydrofurfurylacetate
CID 263175
1,3-Dioxolane-2,2-dipropanoic acid, diethyl ester
CID 285696
Methyl 3-(5-oxooxolan-2-yl)propanoate
CID 299833
1-(Acetyloxy)ethyl heptanoate
CID 53422207
Diethyl 4,4-diethoxyheptanedioate
CID 59487222
1,3-Dioxolane-2,2-dipropanoic acid, dimethyl ester
CID 594346
Methyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate
CID 11063488
Ethyl 2-ethyl-1,3-dioxolane-2-propanoate
CID 14334689
methyl (4R)-4-(methoxymethoxy)dodecanoate
CID 11989133
Ethyl 6-(1,3-dioxolan-2-yl)hexanoate
CID 12956804

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,5-dimethoxyoxolan-2-yl)propanoate?
The IUPAC name of methyl 3-(2,5-dimethoxyoxolan-2-yl)propanoate (CID 102567646) is methyl 3-(2,5-dimethoxyoxolan-2-yl)propanoate.
What is the SMILES notation for methyl 3-(2,5-dimethoxyoxolan-2-yl)propanoate?
The canonical SMILES for methyl 3-(2,5-dimethoxyoxolan-2-yl)propanoate is COC(=O)CCC1(OC)CCC(OC)O1.
What is the InChIKey of methyl 3-(2,5-dimethoxyoxolan-2-yl)propanoate?
The InChIKey is ZYGXMEBLDCUMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-12-8(11)4-6-10(14-3)7-5-9(13-2)15-10/h9H,4-7H2,1-3H3.
What are the key properties of methyl 3-(2,5-dimethoxyoxolan-2-yl)propanoate?
methyl 3-(2,5-dimethoxyoxolan-2-yl)propanoate has a molecular weight of 218.25 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,5-dimethoxyoxolan-2-yl)propanoate is sourced from PubChem (CID 102567646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).