dimethyl 2-(2-methoxyethyl)-2-prop-2-enylpropanedioate

C11H18O5 — CID 134855219

IUPACdimethyl 2-(2-methoxyethyl)-2-prop-2-enylpropanedioate
SMILESC=CCC(CCOC)(C(=O)OC)C(=O)OC
InChIInChI=1S/C11H18O5/c1-5-6-11(7-8-14-2,9(12)15-3)10(13)16-4/h5H,1,6-8H2,2-4H3
InChIKeyNHLYTQBEOCRXFB-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.93
Rot. Bonds7

About dimethyl 2-(2-methoxyethyl)-2-prop-2-enylpropanedioate

dimethyl 2-(2-methoxyethyl)-2-prop-2-enylpropanedioate (PubChem CID 134855219) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is dimethyl 2-(2-methoxyethyl)-2-prop-2-enylpropanedioate.

Molecular Properties

Compound Namedimethyl 2-(2-methoxyethyl)-2-prop-2-enylpropanedioate
PubChem CID134855219
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Namedimethyl 2-(2-methoxyethyl)-2-prop-2-enylpropanedioate
SMILESC=CCC(CCOC)(C(=O)OC)C(=O)OC
InChIInChI=1S/C11H18O5/c1-5-6-11(7-8-14-2,9(12)15-3)10(13)16-4/h5H,1,6-8H2,2-4H3
InChIKeyNHLYTQBEOCRXFB-UHFFFAOYSA-N
XLogP0.93
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.93
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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Related Compounds

Diethyl diallylmalonate
CID 76664
Diethyl 2-allyl-2-methylmalonate
CID 4383937
1,1-Diethyl cyclopent-3-ene-1,1-dicarboxylate
CID 10987569
1,3-Diethyl 2-(1-methylethyl)-2-(2-propen-1-yl)propanedioate
CID 13010734
Dimethyl diallylmalonate
CID 3084608
Diethyl 2-allyl-2-(2-oxoethyl)malonate
CID 389876
Diethyl 2-but-2-ynyl-2-prop-2-enylpropanedioate
CID 10264215
Diethyl but-3-en-1-yl(methyl)propanedioate
CID 220070
Diethyl bis(2,3-butadienyl)malonate
CID 11414389
Diethyl 2-(2-iodoethyl)-2-prop-2-enylpropanedioate
CID 11824384
Diethyl 2-allyl-2-(2-methylallyl)malonate
CID 251069
Diethyl 2-pent-2-ynyl-2-prop-2-enylpropanedioate
CID 10880020

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(2-methoxyethyl)-2-prop-2-enylpropanedioate?
The IUPAC name of dimethyl 2-(2-methoxyethyl)-2-prop-2-enylpropanedioate (CID 134855219) is dimethyl 2-(2-methoxyethyl)-2-prop-2-enylpropanedioate.
What is the SMILES notation for dimethyl 2-(2-methoxyethyl)-2-prop-2-enylpropanedioate?
The canonical SMILES for dimethyl 2-(2-methoxyethyl)-2-prop-2-enylpropanedioate is C=CCC(CCOC)(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-(2-methoxyethyl)-2-prop-2-enylpropanedioate?
The InChIKey is NHLYTQBEOCRXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-5-6-11(7-8-14-2,9(12)15-3)10(13)16-4/h5H,1,6-8H2,2-4H3.
What are the key properties of dimethyl 2-(2-methoxyethyl)-2-prop-2-enylpropanedioate?
dimethyl 2-(2-methoxyethyl)-2-prop-2-enylpropanedioate has a molecular weight of 230.26 g/mol, XLogP of 0.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(2-methoxyethyl)-2-prop-2-enylpropanedioate is sourced from PubChem (CID 134855219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).