acetyl 2-(1-methoxyethoxy)acetate

C7H12O5 — CID 87664855

IUPACacetyl 2-(1-methoxyethoxy)acetate
SMILESCOC(C)OCC(=O)OC(C)=O
InChIInChI=1S/C7H12O5/c1-5(8)12-7(9)4-11-6(2)10-3/h6H,4H2,1-3H3
InChIKeyLAMOWRFAYWGGRI-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.09
Rot. Bonds4

About acetyl 2-(1-methoxyethoxy)acetate

acetyl 2-(1-methoxyethoxy)acetate (PubChem CID 87664855) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is acetyl 2-(1-methoxyethoxy)acetate.

Molecular Properties

Compound Nameacetyl 2-(1-methoxyethoxy)acetate
PubChem CID87664855
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Nameacetyl 2-(1-methoxyethoxy)acetate
SMILESCOC(C)OCC(=O)OC(C)=O
InChIInChI=1S/C7H12O5/c1-5(8)12-7(9)4-11-6(2)10-3/h6H,4H2,1-3H3
InChIKeyLAMOWRFAYWGGRI-UHFFFAOYSA-N
XLogP0.09
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methoxyethoxy)acetic acid;zinc
CID 174204539
acetyl 2-ethoxyacetate
CID 57009984
(2-acetyloxy-2-oxoethyl) propanoate
CID 57195909
acetyl 3-propan-2-yloxypropanoate
CID 141070791
2-(1-methoxyethoxymethoxy)acetic acid
CID 87346668
[2-[2-[2-[2-(2-acetyloxy-2-oxoethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] propanoate
CID 174477288
1-O-acetyl 3-O-(3-acetyloxy-3-oxopropanoyl) propanedioate
CID 87700479
acetyl propanoate;copper
CID 174868474
acetyl propanoate;cobalt
CID 88660334
1-methoxyethoxymethanol
CID 19047944
1,1-dimethoxyethane;ethyl acetate;trihydrobromide
CID 173412257
acetyl 2-phosphonooxyacetate
CID 57099286

Frequently Asked Questions

What is the IUPAC name of acetyl 2-(1-methoxyethoxy)acetate?
The IUPAC name of acetyl 2-(1-methoxyethoxy)acetate (CID 87664855) is acetyl 2-(1-methoxyethoxy)acetate.
What is the SMILES notation for acetyl 2-(1-methoxyethoxy)acetate?
The canonical SMILES for acetyl 2-(1-methoxyethoxy)acetate is COC(C)OCC(=O)OC(C)=O.
What is the InChIKey of acetyl 2-(1-methoxyethoxy)acetate?
The InChIKey is LAMOWRFAYWGGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5/c1-5(8)12-7(9)4-11-6(2)10-3/h6H,4H2,1-3H3.
What are the key properties of acetyl 2-(1-methoxyethoxy)acetate?
acetyl 2-(1-methoxyethoxy)acetate has a molecular weight of 176.17 g/mol, XLogP of 0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 2-(1-methoxyethoxy)acetate is sourced from PubChem (CID 87664855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).