methyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enoate

C10H16O4 — CID 50936969

IUPACmethyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enoate
SMILESCOC(=O)/C(C)=C/C1COC(C)(C)O1
InChIInChI=1S/C10H16O4/c1-7(9(11)12-4)5-8-6-13-10(2,3)14-8/h5,8H,6H2,1-4H3/b7-5+
InChIKeyREPBGWQGPXXIEJ-FNORWQNLSA-N
MW200.23 g/mol
LogP1.26
Rot. Bonds2

About methyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enoate

methyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enoate (PubChem CID 50936969) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enoate
PubChem CID50936969
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enoate
SMILESCOC(=O)/C(C)=C/C1COC(C)(C)O1
InChIInChI=1S/C10H16O4/c1-7(9(11)12-4)5-8-6-13-10(2,3)14-8/h5,8H,6H2,1-4H3/b7-5+
InChIKeyREPBGWQGPXXIEJ-FNORWQNLSA-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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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enoate?
The IUPAC name of methyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enoate (CID 50936969) is methyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enoate.
What is the SMILES notation for methyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enoate?
The canonical SMILES for methyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enoate is COC(=O)/C(C)=C/C1COC(C)(C)O1.
What is the InChIKey of methyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enoate?
The InChIKey is REPBGWQGPXXIEJ-FNORWQNLSA-N. The full InChI is InChI=1S/C10H16O4/c1-7(9(11)12-4)5-8-6-13-10(2,3)14-8/h5,8H,6H2,1-4H3/b7-5+.
What are the key properties of methyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enoate?
methyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-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 methyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enoate is sourced from PubChem (CID 50936969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).