dipropyl 2-pent-1-enylbut-2-enedioate

C15H24O4 — CID 151419690

IUPACdipropyl 2-pent-1-enylbut-2-enedioate
SMILESCCCC=CC(=CC(=O)OCCC)C(=O)OCCC
InChIInChI=1S/C15H24O4/c1-4-7-8-9-13(15(17)19-11-6-3)12-14(16)18-10-5-2/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyPAGYLBPMOMOBAO-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.18
Rot. Bonds9

About dipropyl 2-pent-1-enylbut-2-enedioate

dipropyl 2-pent-1-enylbut-2-enedioate (PubChem CID 151419690) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is dipropyl 2-pent-1-enylbut-2-enedioate.

Molecular Properties

Compound Namedipropyl 2-pent-1-enylbut-2-enedioate
PubChem CID151419690
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namedipropyl 2-pent-1-enylbut-2-enedioate
SMILESCCCC=CC(=CC(=O)OCCC)C(=O)OCCC
InChIInChI=1S/C15H24O4/c1-4-7-8-9-13(15(17)19-11-6-3)12-14(16)18-10-5-2/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyPAGYLBPMOMOBAO-UHFFFAOYSA-N
XLogP3.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

dipropyl (Z)-2-iodobut-2-enedioate
CID 5359092
propyl 3-aminoprop-2-enoate
CID 154061664
bis[(Z)-hex-2-enyl] (E)-but-2-enedioate
CID 24805711
strontium bis((E)-4-oxo-4-propoxybut-2-enoate)
CID 11524184
1-O-propyl 4-O-silyl but-2-enedioate
CID 154277223
acetic acid;dibutyl (Z)-2-ethenylbut-2-enedioate
CID 174802121
1-O-methyl 4-O-propyl 2-methylbut-2-enedioate
CID 175490226
(Z)-2-methyl-4-oxo-4-propoxybut-2-enoic acid
CID 87197934
propyl octadeca-2,4-dienoate
CID 87964592
propyl dodeca-2,4-dienoate
CID 91204454
tetratriacontyl icos-2-enoate
CID 175935411
butyl (E)-5-aminopent-2-enoate
CID 90071570

Frequently Asked Questions

What is the IUPAC name of dipropyl 2-pent-1-enylbut-2-enedioate?
The IUPAC name of dipropyl 2-pent-1-enylbut-2-enedioate (CID 151419690) is dipropyl 2-pent-1-enylbut-2-enedioate.
What is the SMILES notation for dipropyl 2-pent-1-enylbut-2-enedioate?
The canonical SMILES for dipropyl 2-pent-1-enylbut-2-enedioate is CCCC=CC(=CC(=O)OCCC)C(=O)OCCC.
What is the InChIKey of dipropyl 2-pent-1-enylbut-2-enedioate?
The InChIKey is PAGYLBPMOMOBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-4-7-8-9-13(15(17)19-11-6-3)12-14(16)18-10-5-2/h8-9,12H,4-7,10-11H2,1-3H3.
What are the key properties of dipropyl 2-pent-1-enylbut-2-enedioate?
dipropyl 2-pent-1-enylbut-2-enedioate has a molecular weight of 268.35 g/mol, XLogP of 3.18, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 2-pent-1-enylbut-2-enedioate is sourced from PubChem (CID 151419690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).