(5,6-dimethyl-1,4-dioxan-2-yl) 2-methylprop-2-enoate

C10H16O4 — CID 58183676

IUPAC(5,6-dimethyl-1,4-dioxan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1COC(C)C(C)O1
InChIInChI=1S/C10H16O4/c1-6(2)10(11)14-9-5-12-7(3)8(4)13-9/h7-9H,1,5H2,2-4H3
InChIKeyBOOYJLVLQBWXSC-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.26
Rot. Bonds2

About (5,6-dimethyl-1,4-dioxan-2-yl) 2-methylprop-2-enoate

(5,6-dimethyl-1,4-dioxan-2-yl) 2-methylprop-2-enoate (PubChem CID 58183676) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (5,6-dimethyl-1,4-dioxan-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(5,6-dimethyl-1,4-dioxan-2-yl) 2-methylprop-2-enoate
PubChem CID58183676
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(5,6-dimethyl-1,4-dioxan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1COC(C)C(C)O1
InChIInChI=1S/C10H16O4/c1-6(2)10(11)14-9-5-12-7(3)8(4)13-9/h7-9H,1,5H2,2-4H3
InChIKeyBOOYJLVLQBWXSC-UHFFFAOYSA-N
XLogP1.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

oxiran-2-yl 2-methylprop-2-enoate
CID 20678066
1,3-dioxolan-4-yl 2-methylprop-2-enoate
CID 118057422
(8-methyl-1,4-dioxocan-2-yl) 2-methylprop-2-enoate
CID 58183602
(5-methyl-1,4-oxathian-2-yl) 2-methylprop-2-enoate
CID 58183697
(2,2-dimethyl-1,3-dioxan-5-yl) 2-methylprop-2-enoate
CID 54028035
(6-methyloxan-3-yl) 2-methylprop-2-enoate
CID 129192147
(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl) 2-methylprop-2-enoate
CID 66648582
(6-ethoxy-1,4,7-trioxonan-2-yl) 2-methylprop-2-enoate
CID 138705758
4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl 2-methylprop-2-enoate
CID 58785742
[(1R,2S,3S,4R,5R)-3-hydroxy-4-(2-methylprop-2-enoyloxy)-6,8-dioxabicyclo[3.2.1]octan-2-yl] 2-methylprop-2-enoate
CID 10236484
[(3R,4R,5S)-6-acetyloxy-4,5-bis(2-methylprop-2-enoyloxy)oxan-3-yl] 2-methylprop-2-enoate
CID 144922848
methyl 2-methylprop-2-enoate;oxiran-2-ol
CID 174515901

Frequently Asked Questions

What is the IUPAC name of (5,6-dimethyl-1,4-dioxan-2-yl) 2-methylprop-2-enoate?
The IUPAC name of (5,6-dimethyl-1,4-dioxan-2-yl) 2-methylprop-2-enoate (CID 58183676) is (5,6-dimethyl-1,4-dioxan-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (5,6-dimethyl-1,4-dioxan-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for (5,6-dimethyl-1,4-dioxan-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1COC(C)C(C)O1.
What is the InChIKey of (5,6-dimethyl-1,4-dioxan-2-yl) 2-methylprop-2-enoate?
The InChIKey is BOOYJLVLQBWXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-6(2)10(11)14-9-5-12-7(3)8(4)13-9/h7-9H,1,5H2,2-4H3.
What are the key properties of (5,6-dimethyl-1,4-dioxan-2-yl) 2-methylprop-2-enoate?
(5,6-dimethyl-1,4-dioxan-2-yl) 2-methylprop-2-enoate has a molecular weight of 200.23 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethyl-1,4-dioxan-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 58183676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).