(2,2-dimethyl-1,3-dioxan-5-yl) 2-methylprop-2-enoate

C10H16O4 — CID 54028035

IUPAC(2,2-dimethyl-1,3-dioxan-5-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1COC(C)(C)OC1
InChIInChI=1S/C10H16O4/c1-7(2)9(11)14-8-5-12-10(3,4)13-6-8/h8H,1,5-6H2,2-4H3
InChIKeyLDPROHWDXHWONG-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.26
Rot. Bonds2

About (2,2-dimethyl-1,3-dioxan-5-yl) 2-methylprop-2-enoate

(2,2-dimethyl-1,3-dioxan-5-yl) 2-methylprop-2-enoate (PubChem CID 54028035) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxan-5-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxan-5-yl) 2-methylprop-2-enoate
PubChem CID54028035
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(2,2-dimethyl-1,3-dioxan-5-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1COC(C)(C)OC1
InChIInChI=1S/C10H16O4/c1-7(2)9(11)14-8-5-12-10(3,4)13-6-8/h8H,1,5-6H2,2-4H3
InChIKeyLDPROHWDXHWONG-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
(1,1,2,2,6,6-hexamethylpiperidin-1-ium-4-yl) 2-methylprop-2-enoate
CID 134380283
(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl) 2-methylprop-2-enoate
CID 102481533
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
1,3-dioxolan-4-yl 2-methylprop-2-enoate
CID 118057422
(2,2-dioxooxathiolan-4-yl) 2-methylprop-2-enoate
CID 90002294
(6-methyloxan-3-yl) 2-methylprop-2-enoate
CID 129192147
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
(3,3-dimethyl-1,4-dioxan-2-yl) 2-methylprop-2-enoate
CID 58183564
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265
[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl] 2-methylprop-2-enoate
CID 19364552

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-dioxan-5-yl) 2-methylprop-2-enoate?
The IUPAC name of (2,2-dimethyl-1,3-dioxan-5-yl) 2-methylprop-2-enoate (CID 54028035) is (2,2-dimethyl-1,3-dioxan-5-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxan-5-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2,2-dimethyl-1,3-dioxan-5-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1COC(C)(C)OC1.
What is the InChIKey of (2,2-dimethyl-1,3-dioxan-5-yl) 2-methylprop-2-enoate?
The InChIKey is LDPROHWDXHWONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-7(2)9(11)14-8-5-12-10(3,4)13-6-8/h8H,1,5-6H2,2-4H3.
What are the key properties of (2,2-dimethyl-1,3-dioxan-5-yl) 2-methylprop-2-enoate?
(2,2-dimethyl-1,3-dioxan-5-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 (2,2-dimethyl-1,3-dioxan-5-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 54028035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).