(4-ethyl-6-methyl-1,3-dioxan-2-yl) 3-prop-2-enoyloxypropanoate

C13H20O6 — CID 90719791

IUPAC(4-ethyl-6-methyl-1,3-dioxan-2-yl) 3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCCC(=O)OC1OC(C)CC(CC)O1
InChIInChI=1S/C13H20O6/c1-4-10-8-9(3)17-13(18-10)19-12(15)6-7-16-11(14)5-2/h5,9-10,13H,2,4,6-8H2,1,3H3
InChIKeySNCGGBBMDQQPSG-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.54
Rot. Bonds6

About (4-ethyl-6-methyl-1,3-dioxan-2-yl) 3-prop-2-enoyloxypropanoate

(4-ethyl-6-methyl-1,3-dioxan-2-yl) 3-prop-2-enoyloxypropanoate (PubChem CID 90719791) has the molecular formula C13H20O6 and a molecular weight of 272.30 g/mol. Its IUPAC name is (4-ethyl-6-methyl-1,3-dioxan-2-yl) 3-prop-2-enoyloxypropanoate.

Molecular Properties

Compound Name(4-ethyl-6-methyl-1,3-dioxan-2-yl) 3-prop-2-enoyloxypropanoate
PubChem CID90719791
Molecular FormulaC13H20O6
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name(4-ethyl-6-methyl-1,3-dioxan-2-yl) 3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCCC(=O)OC1OC(C)CC(CC)O1
InChIInChI=1S/C13H20O6/c1-4-10-8-9(3)17-13(18-10)19-12(15)6-7-16-11(14)5-2/h5,9-10,13H,2,4,6-8H2,1,3H3
InChIKeySNCGGBBMDQQPSG-UHFFFAOYSA-N
XLogP1.54
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyloxetan-2-yl)ethyl prop-2-enoate
CID 121410457
ethyl 3-prop-2-enoyloxypropanoate
CID 14496496
methyl 3-prop-2-enoyloxypropanoate
CID 14496497
2-(2-ethylcyclopropyl)ethyl prop-2-enoate
CID 59721630
1-(3-prop-2-enoyloxypropanoyloxy)propyl 3-prop-2-enoyloxypropanoate
CID 141139958
cyclohex-2-en-1-yl 3-prop-2-enoyloxypropanoate
CID 142728957
2-(2-ethylaziridin-1-yl)ethyl prop-2-enoate
CID 21325303
3-hydroxybutyl prop-2-enoate;2-methyloxirane
CID 174813594
(5-methyloxolan-2-yl) prop-2-enoate
CID 54024158
3-aminopropyl 3-prop-2-enoyloxypropanoate
CID 142038573
(5-ethyl-2-oxooxolan-3-yl) prop-2-enoate
CID 151484441
[(1S,2S,3S,4R)-2,3,4-tris(5-prop-2-enoyloxypentanoyloxy)cyclohexyl] 5-prop-2-enoyloxypentanoate
CID 118406595

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-6-methyl-1,3-dioxan-2-yl) 3-prop-2-enoyloxypropanoate?
The IUPAC name of (4-ethyl-6-methyl-1,3-dioxan-2-yl) 3-prop-2-enoyloxypropanoate (CID 90719791) is (4-ethyl-6-methyl-1,3-dioxan-2-yl) 3-prop-2-enoyloxypropanoate.
What is the SMILES notation for (4-ethyl-6-methyl-1,3-dioxan-2-yl) 3-prop-2-enoyloxypropanoate?
The canonical SMILES for (4-ethyl-6-methyl-1,3-dioxan-2-yl) 3-prop-2-enoyloxypropanoate is C=CC(=O)OCCC(=O)OC1OC(C)CC(CC)O1.
What is the InChIKey of (4-ethyl-6-methyl-1,3-dioxan-2-yl) 3-prop-2-enoyloxypropanoate?
The InChIKey is SNCGGBBMDQQPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O6/c1-4-10-8-9(3)17-13(18-10)19-12(15)6-7-16-11(14)5-2/h5,9-10,13H,2,4,6-8H2,1,3H3.
What are the key properties of (4-ethyl-6-methyl-1,3-dioxan-2-yl) 3-prop-2-enoyloxypropanoate?
(4-ethyl-6-methyl-1,3-dioxan-2-yl) 3-prop-2-enoyloxypropanoate has a molecular weight of 272.30 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-6-methyl-1,3-dioxan-2-yl) 3-prop-2-enoyloxypropanoate is sourced from PubChem (CID 90719791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).