[ethoxy(oxolan-2-yl)methyl] prop-2-enoate

C10H16O4 — CID 175540639

IUPAC[ethoxy(oxolan-2-yl)methyl] prop-2-enoate
SMILESC=CC(=O)OC(OCC)C1CCCO1
InChIInChI=1S/C10H16O4/c1-3-9(11)14-10(12-4-2)8-6-5-7-13-8/h3,8,10H,1,4-7H2,2H3
InChIKeyYKUHUJACUFPUSK-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.26
Rot. Bonds5

About [ethoxy(oxolan-2-yl)methyl] prop-2-enoate

[ethoxy(oxolan-2-yl)methyl] prop-2-enoate (PubChem CID 175540639) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is [ethoxy(oxolan-2-yl)methyl] prop-2-enoate.

Molecular Properties

Compound Name[ethoxy(oxolan-2-yl)methyl] prop-2-enoate
PubChem CID175540639
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name[ethoxy(oxolan-2-yl)methyl] prop-2-enoate
SMILESC=CC(=O)OC(OCC)C1CCCO1
InChIInChI=1S/C10H16O4/c1-3-9(11)14-10(12-4-2)8-6-5-7-13-8/h3,8,10H,1,4-7H2,2H3
InChIKeyYKUHUJACUFPUSK-UHFFFAOYSA-N
XLogP1.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.26
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

[2-(oxan-2-yl)-2-trimethylsilylethyl] prop-2-enoate
CID 57284318
ethyl (2R)-2-acetyloxy-2-[(2R)-oxolan-2-yl]acetate
CID 11241385
2-(dipropoxymethyl)oxolane
CID 12664780
ethyl 3-oxo-2-(oxolan-2-yl)butanoate
CID 14416095
ethyl 3-hydroxy-3-(oxolan-2-yl)propanoate
CID 82837463
[(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate
CID 139420667
[ethoxy(methoxy)methyl] prop-2-enoate
CID 87919387
2-(oxolan-2-yl)butanal
CID 84716261
[(2R)-oxolan-2-yl]methyl prop-2-enoate
CID 736022
ethyl 2-[hydroxy(oxolan-2-yl)methyl]butanoate
CID 82837689
1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 174987831
[(1R)-1-[(2R)-oxolan-2-yl]ethyl] acetate
CID 14358346

Frequently Asked Questions

What is the IUPAC name of [ethoxy(oxolan-2-yl)methyl] prop-2-enoate?
The IUPAC name of [ethoxy(oxolan-2-yl)methyl] prop-2-enoate (CID 175540639) is [ethoxy(oxolan-2-yl)methyl] prop-2-enoate.
What is the SMILES notation for [ethoxy(oxolan-2-yl)methyl] prop-2-enoate?
The canonical SMILES for [ethoxy(oxolan-2-yl)methyl] prop-2-enoate is C=CC(=O)OC(OCC)C1CCCO1.
What is the InChIKey of [ethoxy(oxolan-2-yl)methyl] prop-2-enoate?
The InChIKey is YKUHUJACUFPUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-9(11)14-10(12-4-2)8-6-5-7-13-8/h3,8,10H,1,4-7H2,2H3.
What are the key properties of [ethoxy(oxolan-2-yl)methyl] prop-2-enoate?
[ethoxy(oxolan-2-yl)methyl] prop-2-enoate has a molecular weight of 200.23 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(oxolan-2-yl)methyl] prop-2-enoate is sourced from PubChem (CID 175540639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).