1-[5-(acetyloxymethyl)oxolan-2-yl]ethenyl 2-methylprop-2-enoate

C13H18O5 — CID 67891878

IUPAC1-[5-(acetyloxymethyl)oxolan-2-yl]ethenyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=C)C1CCC(COC(C)=O)O1
InChIInChI=1S/C13H18O5/c1-8(2)13(15)17-9(3)12-6-5-11(18-12)7-16-10(4)14/h11-12H,1,3,5-7H2,2,4H3
InChIKeyDDNXYNFDXQEJDG-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.73
Rot. Bonds5

About 1-[5-(acetyloxymethyl)oxolan-2-yl]ethenyl 2-methylprop-2-enoate

1-[5-(acetyloxymethyl)oxolan-2-yl]ethenyl 2-methylprop-2-enoate (PubChem CID 67891878) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is 1-[5-(acetyloxymethyl)oxolan-2-yl]ethenyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-[5-(acetyloxymethyl)oxolan-2-yl]ethenyl 2-methylprop-2-enoate
PubChem CID67891878
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name1-[5-(acetyloxymethyl)oxolan-2-yl]ethenyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=C)C1CCC(COC(C)=O)O1
InChIInChI=1S/C13H18O5/c1-8(2)13(15)17-9(3)12-6-5-11(18-12)7-16-10(4)14/h11-12H,1,3,5-7H2,2,4H3
InChIKeyDDNXYNFDXQEJDG-UHFFFAOYSA-N
XLogP1.73
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5,6-dimethyloxan-2-yl)methyl acetate
CID 164565040
ethyl acetate;methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 174820350
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane
CID 174970981
ethane;(5-propan-2-yloxolan-2-yl)methyl acetate
CID 142391715
(5-acetyloxy-6-hydroxyoxan-2-yl)methyl acetate
CID 142113480
[(2S)-4-hydroxyoxetan-2-yl]methyl acetate
CID 67977655
(4-hydroxyoxetan-2-yl)methyl acetate
CID 67977653
[6-(tert-butylcarbamoyl)oxan-2-yl]methyl acetate
CID 72765932
3-[5-(acetyloxymethyl)oxolan-2-yl]prop-2-enoic acid
CID 175935617

Frequently Asked Questions

What is the IUPAC name of 1-[5-(acetyloxymethyl)oxolan-2-yl]ethenyl 2-methylprop-2-enoate?
The IUPAC name of 1-[5-(acetyloxymethyl)oxolan-2-yl]ethenyl 2-methylprop-2-enoate (CID 67891878) is 1-[5-(acetyloxymethyl)oxolan-2-yl]ethenyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-[5-(acetyloxymethyl)oxolan-2-yl]ethenyl 2-methylprop-2-enoate?
The canonical SMILES for 1-[5-(acetyloxymethyl)oxolan-2-yl]ethenyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(=C)C1CCC(COC(C)=O)O1.
What is the InChIKey of 1-[5-(acetyloxymethyl)oxolan-2-yl]ethenyl 2-methylprop-2-enoate?
The InChIKey is DDNXYNFDXQEJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-8(2)13(15)17-9(3)12-6-5-11(18-12)7-16-10(4)14/h11-12H,1,3,5-7H2,2,4H3.
What are the key properties of 1-[5-(acetyloxymethyl)oxolan-2-yl]ethenyl 2-methylprop-2-enoate?
1-[5-(acetyloxymethyl)oxolan-2-yl]ethenyl 2-methylprop-2-enoate has a molecular weight of 254.28 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(acetyloxymethyl)oxolan-2-yl]ethenyl 2-methylprop-2-enoate is sourced from PubChem (CID 67891878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).