methyl 2-(propoxymethoxy)acetate

C7H14O4 — CID 162143030

IUPACmethyl 2-(propoxymethoxy)acetate
SMILESCCCOCOCC(=O)OC
InChIInChI=1S/C7H14O4/c1-3-4-10-6-11-5-7(8)9-2/h3-6H2,1-2H3
InChIKeyIIYKDUWJQUMKCB-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.56
Rot. Bonds6

About methyl 2-(propoxymethoxy)acetate

methyl 2-(propoxymethoxy)acetate (PubChem CID 162143030) has the molecular formula C7H14O4 and a molecular weight of 162.19 g/mol. Its IUPAC name is methyl 2-(propoxymethoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(propoxymethoxy)acetate
PubChem CID162143030
Molecular FormulaC7H14O4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Namemethyl 2-(propoxymethoxy)acetate
SMILESCCCOCOCC(=O)OC
InChIInChI=1S/C7H14O4/c1-3-4-10-6-11-5-7(8)9-2/h3-6H2,1-2H3
InChIKeyIIYKDUWJQUMKCB-UHFFFAOYSA-N
XLogP0.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-methoxyethoxymethoxy)acetate
CID 86258559
methyl 2-(methoxymethoxy)acetate
CID 11018922
methyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate
CID 71676237
methyl 2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 4170388
methyl 2-(2-butoxyethoxy)acetate
CID 21093221
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate;methyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate;methyl 2-[2-(2-propoxyethoxy)ethoxy]acetate;2-(2-propoxyethoxy)ethanol
CID 164983216
methyl 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91694163
methyl 2-(2-chloroethoxy)acetate
CID 15337474
methyl 2-(diethoxyphosphoryloxymethoxy)acetate
CID 141170254
methyl 6-propoxyhexanoate
CID 68704998
1,2-dimethoxyethane;methyl 2-methoxyacetate
CID 159708370
methyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate
CID 106456115

Frequently Asked Questions

What is the IUPAC name of methyl 2-(propoxymethoxy)acetate?
The IUPAC name of methyl 2-(propoxymethoxy)acetate (CID 162143030) is methyl 2-(propoxymethoxy)acetate.
What is the SMILES notation for methyl 2-(propoxymethoxy)acetate?
The canonical SMILES for methyl 2-(propoxymethoxy)acetate is CCCOCOCC(=O)OC.
What is the InChIKey of methyl 2-(propoxymethoxy)acetate?
The InChIKey is IIYKDUWJQUMKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-3-4-10-6-11-5-7(8)9-2/h3-6H2,1-2H3.
What are the key properties of methyl 2-(propoxymethoxy)acetate?
methyl 2-(propoxymethoxy)acetate has a molecular weight of 162.19 g/mol, XLogP of 0.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(propoxymethoxy)acetate is sourced from PubChem (CID 162143030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).