diethyl 2-[(Z)-2-propylpent-2-enyl]propanedioate

C15H26O4 — CID 24972479

IUPACdiethyl 2-[(Z)-2-propylpent-2-enyl]propanedioate
SMILESCC/C=C(/CCC)CC(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C15H26O4/c1-5-9-12(10-6-2)11-13(14(16)18-7-3)15(17)19-8-4/h9,13H,5-8,10-11H2,1-4H3/b12-9-
InChIKeyGAZDAIFQGXCOTN-XFXZXTDPSA-N
MW270.37 g/mol
LogP3.26
Rot. Bonds9

About diethyl 2-[(Z)-2-propylpent-2-enyl]propanedioate

diethyl 2-[(Z)-2-propylpent-2-enyl]propanedioate (PubChem CID 24972479) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is diethyl 2-[(Z)-2-propylpent-2-enyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[(Z)-2-propylpent-2-enyl]propanedioate
PubChem CID24972479
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namediethyl 2-[(Z)-2-propylpent-2-enyl]propanedioate
SMILESCC/C=C(/CCC)CC(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C15H26O4/c1-5-9-12(10-6-2)11-13(14(16)18-7-3)15(17)19-8-4/h9,13H,5-8,10-11H2,1-4H3/b12-9-
InChIKeyGAZDAIFQGXCOTN-XFXZXTDPSA-N
XLogP3.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.26
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 2-(2-oxopentyl)propanedioate
CID 141107198
3-propylhex-3-enoic acid
CID 152767983
triethyl pent-3-ene-1,1,3-tricarboxylate
CID 71335768
tetraethyl (1,3-13C2)propane-1,1,3,3-tetracarboxylate
CID 76973343
diethyl 2-(iodomethyl)propanedioate
CID 71339629
diethyl 2-[(Z)-4-methyl-2-methylidenehex-4-enyl]propanedioate
CID 11391525
diethyl 2-carbamoylbutanedioate
CID 88798137
ethyl 2-(2-cyclopropyl-2-oxoethyl)-3-oxohexanoate
CID 165473844
ethyl (1,2-13C2)butanoate
CID 157463359
ethyl 2,2-bis(sulfanyl)acetate
CID 21446775
ethyl butanoate
CID 7762
diethyl 2-(cyclopent-3-en-1-ylmethyl)propanedioate
CID 166520067

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(Z)-2-propylpent-2-enyl]propanedioate?
The IUPAC name of diethyl 2-[(Z)-2-propylpent-2-enyl]propanedioate (CID 24972479) is diethyl 2-[(Z)-2-propylpent-2-enyl]propanedioate.
What is the SMILES notation for diethyl 2-[(Z)-2-propylpent-2-enyl]propanedioate?
The canonical SMILES for diethyl 2-[(Z)-2-propylpent-2-enyl]propanedioate is CC/C=C(/CCC)CC(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-[(Z)-2-propylpent-2-enyl]propanedioate?
The InChIKey is GAZDAIFQGXCOTN-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H26O4/c1-5-9-12(10-6-2)11-13(14(16)18-7-3)15(17)19-8-4/h9,13H,5-8,10-11H2,1-4H3/b12-9-.
What are the key properties of diethyl 2-[(Z)-2-propylpent-2-enyl]propanedioate?
diethyl 2-[(Z)-2-propylpent-2-enyl]propanedioate has a molecular weight of 270.37 g/mol, XLogP of 3.26, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(Z)-2-propylpent-2-enyl]propanedioate is sourced from PubChem (CID 24972479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).