methyl 5-ethyl-2-methoxyoxolane-2-carboxylate

C9H16O4 — CID 13052824

IUPACmethyl 5-ethyl-2-methoxyoxolane-2-carboxylate
SMILESCCC1CCC(OC)(C(=O)OC)O1
InChIInChI=1S/C9H16O4/c1-4-7-5-6-9(12-3,13-7)8(10)11-2/h7H,4-6H2,1-3H3
InChIKeyNCWLGXQDGUUWHY-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.09
Rot. Bonds3

About methyl 5-ethyl-2-methoxyoxolane-2-carboxylate

methyl 5-ethyl-2-methoxyoxolane-2-carboxylate (PubChem CID 13052824) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is methyl 5-ethyl-2-methoxyoxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-2-methoxyoxolane-2-carboxylate
PubChem CID13052824
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Namemethyl 5-ethyl-2-methoxyoxolane-2-carboxylate
SMILESCCC1CCC(OC)(C(=O)OC)O1
InChIInChI=1S/C9H16O4/c1-4-7-5-6-9(12-3,13-7)8(10)11-2/h7H,4-6H2,1-3H3
InChIKeyNCWLGXQDGUUWHY-UHFFFAOYSA-N
XLogP1.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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[5-(2-Methyl-1,3-dioxolan-2-yl)-2-oxopentyl] acetate
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methyl 3-[(4R,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 11435879
[(2R,3S)-2,3-diacetyloxy-3-[(2R,4R)-4-acetyloxy-5-oxooxolan-2-yl]propyl] acetate
CID 13989737
methyl (5R,7S)-1,6-dioxaspiro[4.5]decane-7-carboxylate
CID 15946863
Methyl 5-tridecyloxolane-2-carboxylate
CID 71329129
methyl (2S,6R)-2,6-diacetyloxyheptanoate
CID 102406465
2-Heptanoyloxy-propionic acid tetrahydrofurfuryl ester
CID 129659676
2,2,4-Trimethyl-5-(2-carbomethoxyethyl)-1,3-dioxolane
CID 129787039
3-[(4S,5R)-5-[(6S)-6-hydroxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
CID 134836601

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-2-methoxyoxolane-2-carboxylate?
The IUPAC name of methyl 5-ethyl-2-methoxyoxolane-2-carboxylate (CID 13052824) is methyl 5-ethyl-2-methoxyoxolane-2-carboxylate.
What is the SMILES notation for methyl 5-ethyl-2-methoxyoxolane-2-carboxylate?
The canonical SMILES for methyl 5-ethyl-2-methoxyoxolane-2-carboxylate is CCC1CCC(OC)(C(=O)OC)O1.
What is the InChIKey of methyl 5-ethyl-2-methoxyoxolane-2-carboxylate?
The InChIKey is NCWLGXQDGUUWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-4-7-5-6-9(12-3,13-7)8(10)11-2/h7H,4-6H2,1-3H3.
What are the key properties of methyl 5-ethyl-2-methoxyoxolane-2-carboxylate?
methyl 5-ethyl-2-methoxyoxolane-2-carboxylate has a molecular weight of 188.22 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-2-methoxyoxolane-2-carboxylate is sourced from PubChem (CID 13052824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).