dipropyl 4,6-bis(ethenyl)-5-oxononanedioate

C19H30O5 — CID 57265667

IUPACdipropyl 4,6-bis(ethenyl)-5-oxononanedioate
SMILESC=CC(CCC(=O)OCCC)C(=O)C(C=C)CCC(=O)OCCC
InChIInChI=1S/C19H30O5/c1-5-13-23-17(20)11-9-15(7-3)19(22)16(8-4)10-12-18(21)24-14-6-2/h7-8,15-16H,3-6,9-14H2,1-2H3
InChIKeyGVBJTTCDBVWJQK-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.63
Rot. Bonds14

About dipropyl 4,6-bis(ethenyl)-5-oxononanedioate

dipropyl 4,6-bis(ethenyl)-5-oxononanedioate (PubChem CID 57265667) has the molecular formula C19H30O5 and a molecular weight of 338.44 g/mol. Its IUPAC name is dipropyl 4,6-bis(ethenyl)-5-oxononanedioate.

Molecular Properties

Compound Namedipropyl 4,6-bis(ethenyl)-5-oxononanedioate
PubChem CID57265667
Molecular FormulaC19H30O5
Molecular Weight338.44 g/mol
Exact Mass338.21
IUPAC Namedipropyl 4,6-bis(ethenyl)-5-oxononanedioate
SMILESC=CC(CCC(=O)OCCC)C(=O)C(C=C)CCC(=O)OCCC
InChIInChI=1S/C19H30O5/c1-5-13-23-17(20)11-9-15(7-3)19(22)16(8-4)10-12-18(21)24-14-6-2/h7-8,15-16H,3-6,9-14H2,1-2H3
InChIKeyGVBJTTCDBVWJQK-UHFFFAOYSA-N
XLogP3.63
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dipropyl 4,6-bis(ethenyl)-5-oxononanedioate?
The IUPAC name of dipropyl 4,6-bis(ethenyl)-5-oxononanedioate (CID 57265667) is dipropyl 4,6-bis(ethenyl)-5-oxononanedioate.
What is the SMILES notation for dipropyl 4,6-bis(ethenyl)-5-oxononanedioate?
The canonical SMILES for dipropyl 4,6-bis(ethenyl)-5-oxononanedioate is C=CC(CCC(=O)OCCC)C(=O)C(C=C)CCC(=O)OCCC.
What is the InChIKey of dipropyl 4,6-bis(ethenyl)-5-oxononanedioate?
The InChIKey is GVBJTTCDBVWJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O5/c1-5-13-23-17(20)11-9-15(7-3)19(22)16(8-4)10-12-18(21)24-14-6-2/h7-8,15-16H,3-6,9-14H2,1-2H3.
What are the key properties of dipropyl 4,6-bis(ethenyl)-5-oxononanedioate?
dipropyl 4,6-bis(ethenyl)-5-oxononanedioate has a molecular weight of 338.44 g/mol, XLogP of 3.63, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 4,6-bis(ethenyl)-5-oxononanedioate is sourced from PubChem (CID 57265667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).