diethyl 2-(1-methoxyprop-2-enyl)-2-prop-2-enylpropanedioate

C14H22O5 — CID 134919019

IUPACdiethyl 2-(1-methoxyprop-2-enyl)-2-prop-2-enylpropanedioate
SMILESC=CCC(C(=O)OCC)(C(=O)OCC)C(C=C)OC
InChIInChI=1S/C14H22O5/c1-6-10-14(11(7-2)17-5,12(15)18-8-3)13(16)19-9-4/h6-7,11H,1-2,8-10H2,3-5H3
InChIKeyDFOKGYQRXCZKRN-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.88
Rot. Bonds9

About diethyl 2-(1-methoxyprop-2-enyl)-2-prop-2-enylpropanedioate

diethyl 2-(1-methoxyprop-2-enyl)-2-prop-2-enylpropanedioate (PubChem CID 134919019) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is diethyl 2-(1-methoxyprop-2-enyl)-2-prop-2-enylpropanedioate.

Molecular Properties

Compound Namediethyl 2-(1-methoxyprop-2-enyl)-2-prop-2-enylpropanedioate
PubChem CID134919019
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Namediethyl 2-(1-methoxyprop-2-enyl)-2-prop-2-enylpropanedioate
SMILESC=CCC(C(=O)OCC)(C(=O)OCC)C(C=C)OC
InChIInChI=1S/C14H22O5/c1-6-10-14(11(7-2)17-5,12(15)18-8-3)13(16)19-9-4/h6-7,11H,1-2,8-10H2,3-5H3
InChIKeyDFOKGYQRXCZKRN-UHFFFAOYSA-N
XLogP1.88
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-(1-methoxyprop-2-enyl)-2-prop-2-enylpropanedioate?
The IUPAC name of diethyl 2-(1-methoxyprop-2-enyl)-2-prop-2-enylpropanedioate (CID 134919019) is diethyl 2-(1-methoxyprop-2-enyl)-2-prop-2-enylpropanedioate.
What is the SMILES notation for diethyl 2-(1-methoxyprop-2-enyl)-2-prop-2-enylpropanedioate?
The canonical SMILES for diethyl 2-(1-methoxyprop-2-enyl)-2-prop-2-enylpropanedioate is C=CCC(C(=O)OCC)(C(=O)OCC)C(C=C)OC.
What is the InChIKey of diethyl 2-(1-methoxyprop-2-enyl)-2-prop-2-enylpropanedioate?
The InChIKey is DFOKGYQRXCZKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-6-10-14(11(7-2)17-5,12(15)18-8-3)13(16)19-9-4/h6-7,11H,1-2,8-10H2,3-5H3.
What are the key properties of diethyl 2-(1-methoxyprop-2-enyl)-2-prop-2-enylpropanedioate?
diethyl 2-(1-methoxyprop-2-enyl)-2-prop-2-enylpropanedioate has a molecular weight of 270.32 g/mol, XLogP of 1.88, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(1-methoxyprop-2-enyl)-2-prop-2-enylpropanedioate is sourced from PubChem (CID 134919019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).