3-oxopentyl 2-methoxyacetate

C8H14O4 — CID 59946471

IUPAC3-oxopentyl 2-methoxyacetate
SMILESCCC(=O)CCOC(=O)COC
InChIInChI=1S/C8H14O4/c1-3-7(9)4-5-12-8(10)6-11-2/h3-6H2,1-2H3
InChIKeyLMNZLJMJCGKKEW-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.55
Rot. Bonds6

About 3-oxopentyl 2-methoxyacetate

3-oxopentyl 2-methoxyacetate (PubChem CID 59946471) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-oxopentyl 2-methoxyacetate.

Molecular Properties

Compound Name3-oxopentyl 2-methoxyacetate
PubChem CID59946471
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name3-oxopentyl 2-methoxyacetate
SMILESCCC(=O)CCOC(=O)COC
InChIInChI=1S/C8H14O4/c1-3-7(9)4-5-12-8(10)6-11-2/h3-6H2,1-2H3
InChIKeyLMNZLJMJCGKKEW-UHFFFAOYSA-N
XLogP0.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(3-oxopentyl) carbonate
CID 174663018
1-methoxyheptane-2,5-dione
CID 12648673
CID 172843337
CID 172843337
3-oxopentyl 2-methylpropanoate
CID 58600127
1,2-dimethoxyethane;pentan-3-one
CID 87877054
2-(methylamino)ethyl 2-methoxyacetate
CID 23093561
(3-methoxy-3-methylbutyl) 2-methoxyacetate
CID 44602909
1,2-dimethoxyethane;methyl 2-methoxyacetate
CID 159708370
butyl 8-oxodecanoate
CID 101282189
(3-amino-3-oxopropyl) propanoate
CID 54518941
acetaldehyde;1-methoxybutan-2-one
CID 144521469
ethanol;ethyl 2-methoxyacetate;2-methoxyacetic acid
CID 159692110

Frequently Asked Questions

What is the IUPAC name of 3-oxopentyl 2-methoxyacetate?
The IUPAC name of 3-oxopentyl 2-methoxyacetate (CID 59946471) is 3-oxopentyl 2-methoxyacetate.
What is the SMILES notation for 3-oxopentyl 2-methoxyacetate?
The canonical SMILES for 3-oxopentyl 2-methoxyacetate is CCC(=O)CCOC(=O)COC.
What is the InChIKey of 3-oxopentyl 2-methoxyacetate?
The InChIKey is LMNZLJMJCGKKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-3-7(9)4-5-12-8(10)6-11-2/h3-6H2,1-2H3.
What are the key properties of 3-oxopentyl 2-methoxyacetate?
3-oxopentyl 2-methoxyacetate has a molecular weight of 174.20 g/mol, XLogP of 0.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxopentyl 2-methoxyacetate is sourced from PubChem (CID 59946471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).