1-methoxyethoxymethyl prop-2-enoate

C7H12O4 — CID 22235292

IUPAC1-methoxyethoxymethyl prop-2-enoate
SMILESC=CC(=O)OCOC(C)OC
InChIInChI=1S/C7H12O4/c1-4-7(8)11-5-10-6(2)9-3/h4,6H,1,5H2,2-3H3
InChIKeyBSKAZWRREAGQJH-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.68
Rot. Bonds5

About 1-methoxyethoxymethyl prop-2-enoate

1-methoxyethoxymethyl prop-2-enoate (PubChem CID 22235292) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 1-methoxyethoxymethyl prop-2-enoate.

Molecular Properties

Compound Name1-methoxyethoxymethyl prop-2-enoate
PubChem CID22235292
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name1-methoxyethoxymethyl prop-2-enoate
SMILESC=CC(=O)OCOC(C)OC
InChIInChI=1S/C7H12O4/c1-4-7(8)11-5-10-6(2)9-3/h4,6H,1,5H2,2-3H3
InChIKeyBSKAZWRREAGQJH-UHFFFAOYSA-N
XLogP0.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 164930004
ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate
CID 138520908
2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate
CID 140791658
2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate
CID 135130322
2-(1-methoxyethoxymethoxy)acetic acid
CID 87346668
1,1-dimethoxyethane;prop-2-enyl acetate
CID 87678916
[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate
CID 139835678
[2-(methoxymethyl)-2-(prop-2-enoyloxymethoxymethyl)butoxy]methyl prop-2-enoate
CID 129178860
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 139889526
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 121420632
(4-hydroxy-2,3-dimethyl-4-prop-2-enoyloxybutyl) prop-2-enoate
CID 19428957
2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propyl prop-2-enoate
CID 21458421

Frequently Asked Questions

What is the IUPAC name of 1-methoxyethoxymethyl prop-2-enoate?
The IUPAC name of 1-methoxyethoxymethyl prop-2-enoate (CID 22235292) is 1-methoxyethoxymethyl prop-2-enoate.
What is the SMILES notation for 1-methoxyethoxymethyl prop-2-enoate?
The canonical SMILES for 1-methoxyethoxymethyl prop-2-enoate is C=CC(=O)OCOC(C)OC.
What is the InChIKey of 1-methoxyethoxymethyl prop-2-enoate?
The InChIKey is BSKAZWRREAGQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-4-7(8)11-5-10-6(2)9-3/h4,6H,1,5H2,2-3H3.
What are the key properties of 1-methoxyethoxymethyl prop-2-enoate?
1-methoxyethoxymethyl prop-2-enoate has a molecular weight of 160.17 g/mol, XLogP of 0.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethoxymethyl prop-2-enoate is sourced from PubChem (CID 22235292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).