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

C11H18O4 — CID 162350222

IUPACmethyl 3-(5-ethyl-1,3-dioxan-5-yl)-2-methylprop-2-enoate
SMILESCCC1(C=C(C)C(=O)OC)COCOC1
InChIInChI=1S/C11H18O4/c1-4-11(6-14-8-15-7-11)5-9(2)10(12)13-3/h5H,4,6-8H2,1-3H3
InChIKeyCNLVJZADJVFCEX-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.51
Rot. Bonds3

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

methyl 3-(5-ethyl-1,3-dioxan-5-yl)-2-methylprop-2-enoate (PubChem CID 162350222) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 3-(5-ethyl-1,3-dioxan-5-yl)-2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(5-ethyl-1,3-dioxan-5-yl)-2-methylprop-2-enoate
PubChem CID162350222
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl 3-(5-ethyl-1,3-dioxan-5-yl)-2-methylprop-2-enoate
SMILESCCC1(C=C(C)C(=O)OC)COCOC1
InChIInChI=1S/C11H18O4/c1-4-11(6-14-8-15-7-11)5-9(2)10(12)13-3/h5H,4,6-8H2,1-3H3
InChIKeyCNLVJZADJVFCEX-UHFFFAOYSA-N
XLogP1.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.51
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 3-(5-ethyl-1,3-dioxan-5-yl)-2-methylprop-2-enoate?
The IUPAC name of methyl 3-(5-ethyl-1,3-dioxan-5-yl)-2-methylprop-2-enoate (CID 162350222) is methyl 3-(5-ethyl-1,3-dioxan-5-yl)-2-methylprop-2-enoate.
What is the SMILES notation for methyl 3-(5-ethyl-1,3-dioxan-5-yl)-2-methylprop-2-enoate?
The canonical SMILES for methyl 3-(5-ethyl-1,3-dioxan-5-yl)-2-methylprop-2-enoate is CCC1(C=C(C)C(=O)OC)COCOC1.
What is the InChIKey of methyl 3-(5-ethyl-1,3-dioxan-5-yl)-2-methylprop-2-enoate?
The InChIKey is CNLVJZADJVFCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-4-11(6-14-8-15-7-11)5-9(2)10(12)13-3/h5H,4,6-8H2,1-3H3.
What are the key properties of methyl 3-(5-ethyl-1,3-dioxan-5-yl)-2-methylprop-2-enoate?
methyl 3-(5-ethyl-1,3-dioxan-5-yl)-2-methylprop-2-enoate has a molecular weight of 214.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-ethyl-1,3-dioxan-5-yl)-2-methylprop-2-enoate is sourced from PubChem (CID 162350222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).