bis(pent-4-en-2-yl) pentanedioate

C15H24O4 — CID 91706422

IUPACbis(pent-4-en-2-yl) pentanedioate
SMILESC=CCC(C)OC(=O)CCCC(=O)OC(C)CC=C
InChIInChI=1S/C15H24O4/c1-5-8-12(3)18-14(16)10-7-11-15(17)19-13(4)9-6-2/h5-6,12-13H,1-2,7-11H2,3-4H3
InChIKeyOKIPGQIKZOSRLS-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.17
Rot. Bonds10

About bis(pent-4-en-2-yl) pentanedioate

bis(pent-4-en-2-yl) pentanedioate (PubChem CID 91706422) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is bis(pent-4-en-2-yl) pentanedioate.

Molecular Properties

Compound Namebis(pent-4-en-2-yl) pentanedioate
PubChem CID91706422
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namebis(pent-4-en-2-yl) pentanedioate
SMILESC=CCC(C)OC(=O)CCCC(=O)OC(C)CC=C
InChIInChI=1S/C15H24O4/c1-5-8-12(3)18-14(16)10-7-11-15(17)19-13(4)9-6-2/h5-6,12-13H,1-2,7-11H2,3-4H3
InChIKeyOKIPGQIKZOSRLS-UHFFFAOYSA-N
XLogP3.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Glutaric acid, hex-4-en-1-yl 1,1,1-trifluoroprop-2-yl ester
CID 91697833
Adipic acid, butyl pent-4-en-2-yl ester
CID 91713855
Glutaric acid, hexa-1,5-dien-3-yl 1,1,1-trifluoroprop-2-yl ester
CID 91734353
Glutaric acid, di(3-methylbut-3-enyl) ester
CID 91694432
Glutaric acid, di(but-3-en-2-yl) ester
CID 91705687
Glutaric acid, hex-5-en-1-yl 1,1,1-trifluoroprop-2-yl ester
CID 91734251
Glutaric acid, hepta-1,6-dien-4-yl 1,1,1-trifluoroprop-2-yl ester
CID 91734355
Glutaric acid, 2,2,3,3-tetrafluoropropyl pent-4-en-2-yl ester
CID 91736584
Glutaric acid, hepta-1,6-dien-4-yl 2,2,3,3-tetrafluoropropyl ester
CID 91736589
Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl pent-4-en-2-yl ester
CID 91742885
Glutaric acid, hepta-1,6-dien-4-yl 2,2,3,3,4,4,5,5-octafluoropentyl ester
CID 91742889
Glutaric acid, di(pent-4-enyl) ester
CID 91694556

Frequently Asked Questions

What is the IUPAC name of bis(pent-4-en-2-yl) pentanedioate?
The IUPAC name of bis(pent-4-en-2-yl) pentanedioate (CID 91706422) is bis(pent-4-en-2-yl) pentanedioate.
What is the SMILES notation for bis(pent-4-en-2-yl) pentanedioate?
The canonical SMILES for bis(pent-4-en-2-yl) pentanedioate is C=CCC(C)OC(=O)CCCC(=O)OC(C)CC=C.
What is the InChIKey of bis(pent-4-en-2-yl) pentanedioate?
The InChIKey is OKIPGQIKZOSRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-5-8-12(3)18-14(16)10-7-11-15(17)19-13(4)9-6-2/h5-6,12-13H,1-2,7-11H2,3-4H3.
What are the key properties of bis(pent-4-en-2-yl) pentanedioate?
bis(pent-4-en-2-yl) pentanedioate has a molecular weight of 268.35 g/mol, XLogP of 3.17, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pent-4-en-2-yl) pentanedioate is sourced from PubChem (CID 91706422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).