bis(prop-2-enyl) 2-prop-2-enyl-2-propylpropanedioate

C15H22O4 — CID 171777510

IUPACbis(prop-2-enyl) 2-prop-2-enyl-2-propylpropanedioate
SMILESC=CCOC(=O)C(CC=C)(CCC)C(=O)OCC=C
InChIInChI=1S/C15H22O4/c1-5-9-15(10-6-2,13(16)18-11-7-3)14(17)19-12-8-4/h5,7-8H,1,3-4,6,9-12H2,2H3
InChIKeyTZEJCPSVFYQFCQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.81
Rot. Bonds10

About bis(prop-2-enyl) 2-prop-2-enyl-2-propylpropanedioate

bis(prop-2-enyl) 2-prop-2-enyl-2-propylpropanedioate (PubChem CID 171777510) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is bis(prop-2-enyl) 2-prop-2-enyl-2-propylpropanedioate.

Molecular Properties

Compound Namebis(prop-2-enyl) 2-prop-2-enyl-2-propylpropanedioate
PubChem CID171777510
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namebis(prop-2-enyl) 2-prop-2-enyl-2-propylpropanedioate
SMILESC=CCOC(=O)C(CC=C)(CCC)C(=O)OCC=C
InChIInChI=1S/C15H22O4/c1-5-9-15(10-6-2,13(16)18-11-7-3)14(17)19-12-8-4/h5,7-8H,1,3-4,6,9-12H2,2H3
InChIKeyTZEJCPSVFYQFCQ-UHFFFAOYSA-N
XLogP2.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (1-methylbutyl)allylmalonate
CID 95451
Diethyl 2-(3-butenyl)malonate
CID 594682
1,3-Diethyl 2-(1-methylethyl)-2-(2-propen-1-yl)propanedioate
CID 13010734
Diethyl but-3-en-1-yl(methyl)propanedioate
CID 220070
Diethyl (but-3-en-1-yl)(propargyl)malonate
CID 10777193
Diethyl 2-(2-bromoprop-2-enyl)-2-but-3-enylpropanedioate
CID 11371008
diethyl 2-[(E)-but-2-enyl]-2-but-3-enylpropanedioate
CID 11414508
Diethyl ethyl(2-methylprop-2-en-1-yl)propanedioate
CID 239611
Diethyl bis(2-methylprop-2-en-1-yl)propanedioate
CID 240537
Diethyl 2-allyl-2-(2-methylallyl)malonate
CID 251069
Diethyl cyclohex-3-ene-1,1-dicarboxylate
CID 283136

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) 2-prop-2-enyl-2-propylpropanedioate?
The IUPAC name of bis(prop-2-enyl) 2-prop-2-enyl-2-propylpropanedioate (CID 171777510) is bis(prop-2-enyl) 2-prop-2-enyl-2-propylpropanedioate.
What is the SMILES notation for bis(prop-2-enyl) 2-prop-2-enyl-2-propylpropanedioate?
The canonical SMILES for bis(prop-2-enyl) 2-prop-2-enyl-2-propylpropanedioate is C=CCOC(=O)C(CC=C)(CCC)C(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) 2-prop-2-enyl-2-propylpropanedioate?
The InChIKey is TZEJCPSVFYQFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-5-9-15(10-6-2,13(16)18-11-7-3)14(17)19-12-8-4/h5,7-8H,1,3-4,6,9-12H2,2H3.
What are the key properties of bis(prop-2-enyl) 2-prop-2-enyl-2-propylpropanedioate?
bis(prop-2-enyl) 2-prop-2-enyl-2-propylpropanedioate has a molecular weight of 266.34 g/mol, XLogP of 2.81, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) 2-prop-2-enyl-2-propylpropanedioate is sourced from PubChem (CID 171777510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).