dipropyl (Z)-2-ethyl-3-propylbut-2-enedioate

C15H26O4 — CID 88549132

IUPACdipropyl (Z)-2-ethyl-3-propylbut-2-enedioate
SMILESCCCOC(=O)/C(CC)=C(/CCC)C(=O)OCCC
InChIInChI=1S/C15H26O4/c1-5-9-13(15(17)19-11-7-3)12(8-4)14(16)18-10-6-2/h5-11H2,1-4H3/b13-12-
InChIKeyZTOJZNYHDDVTEI-SEYXRHQNSA-N
MW270.37 g/mol
LogP3.40
Rot. Bonds9

About dipropyl (Z)-2-ethyl-3-propylbut-2-enedioate

dipropyl (Z)-2-ethyl-3-propylbut-2-enedioate (PubChem CID 88549132) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is dipropyl (Z)-2-ethyl-3-propylbut-2-enedioate.

Molecular Properties

Compound Namedipropyl (Z)-2-ethyl-3-propylbut-2-enedioate
PubChem CID88549132
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namedipropyl (Z)-2-ethyl-3-propylbut-2-enedioate
SMILESCCCOC(=O)/C(CC)=C(/CCC)C(=O)OCCC
InChIInChI=1S/C15H26O4/c1-5-9-13(15(17)19-11-7-3)12(8-4)14(16)18-10-6-2/h5-11H2,1-4H3/b13-12-
InChIKeyZTOJZNYHDDVTEI-SEYXRHQNSA-N
XLogP3.40
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 ≤ 53.40
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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Related Compounds

diethyl 2-ethyl-3-propylbut-2-enedioate
CID 123725438
propyl (Z)-3-amino-2-propylpent-2-enoate
CID 140504293
dibutyl 2,3-dipropylbut-2-enedioate
CID 123631686
dipropyl 2-octyl-3-pentylbut-2-enedioate
CID 123689942
dipropyl 2-hexyl-3-pentylbut-2-enedioate
CID 123880328
dipropyl (Z)-2-decyl-3-octylbut-2-enedioate
CID 88549796
dioctyl (Z)-2-hexyl-3-propylbut-2-enedioate
CID 88548872
pentyl 2-ethyl-3-methylhex-2-enoate
CID 175495326
bis(3-methylbutyl) (Z)-2,3-diethylbut-2-enedioate
CID 174863157
dipropyl 2,3-bis(2-methylpropyl)but-2-enedioate
CID 123952538
1-O-ethyl 2-O-propyl oxalate
CID 6420312
diethyl (2E,4E)-2,3,4,5-tetraethylhexa-2,4-dienedioate
CID 101172123

Frequently Asked Questions

What is the IUPAC name of dipropyl (Z)-2-ethyl-3-propylbut-2-enedioate?
The IUPAC name of dipropyl (Z)-2-ethyl-3-propylbut-2-enedioate (CID 88549132) is dipropyl (Z)-2-ethyl-3-propylbut-2-enedioate.
What is the SMILES notation for dipropyl (Z)-2-ethyl-3-propylbut-2-enedioate?
The canonical SMILES for dipropyl (Z)-2-ethyl-3-propylbut-2-enedioate is CCCOC(=O)/C(CC)=C(/CCC)C(=O)OCCC.
What is the InChIKey of dipropyl (Z)-2-ethyl-3-propylbut-2-enedioate?
The InChIKey is ZTOJZNYHDDVTEI-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H26O4/c1-5-9-13(15(17)19-11-7-3)12(8-4)14(16)18-10-6-2/h5-11H2,1-4H3/b13-12-.
What are the key properties of dipropyl (Z)-2-ethyl-3-propylbut-2-enedioate?
dipropyl (Z)-2-ethyl-3-propylbut-2-enedioate has a molecular weight of 270.37 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl (Z)-2-ethyl-3-propylbut-2-enedioate is sourced from PubChem (CID 88549132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).