bis(pent-4-enyl) pentanedioate

C15H24O4 — CID 91694556

IUPACbis(pent-4-enyl) pentanedioate
SMILESC=CCCCOC(=O)CCCC(=O)OCCCC=C
InChIInChI=1S/C15H24O4/c1-3-5-7-12-18-14(16)10-9-11-15(17)19-13-8-6-4-2/h3-4H,1-2,5-13H2
InChIKeyYBGGVDVUTAQJBY-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.18
Rot. Bonds12

About bis(pent-4-enyl) pentanedioate

bis(pent-4-enyl) pentanedioate (PubChem CID 91694556) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is bis(pent-4-enyl) pentanedioate.

Molecular Properties

Compound Namebis(pent-4-enyl) pentanedioate
PubChem CID91694556
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namebis(pent-4-enyl) pentanedioate
SMILESC=CCCCOC(=O)CCCC(=O)OCCCC=C
InChIInChI=1S/C15H24O4/c1-3-5-7-12-18-14(16)10-9-11-15(17)19-13-8-6-4-2/h3-4H,1-2,5-13H2
InChIKeyYBGGVDVUTAQJBY-UHFFFAOYSA-N
XLogP3.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Diallyl glutarate
CID 12429694
Hex-5-enoic acid hex-5-enyl ester
CID 12613775
Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl but-3-en-1-yl ester
CID 91742858
Glutaric acid, didec-9-enyl ester
CID 53680596
Glutaric acid, di(3-methylbut-3-enyl) ester
CID 91694432
Glutaric acid, di(but-3-en-2-yl) ester
CID 91705687
5-(But-3-en-1-yloxy)pentanoic acid
CID 29005829
Glutaric acid, hex-5-en-1-yl 1,1,1-trifluoroprop-2-yl ester
CID 91734251
Glutaric acid, hex-5-en-1-yl 2,2,3,3-tetrafluoropropyl ester
CID 91736434
Glutaric acid, hex-5-en-1-yl 2,2,3,3,4,4,5,5-octafluoropentyl ester
CID 91742887
Glutaric acid, ethyl 3-methylbut-3-enyl ester
CID 91694558
Glutaric acid, 3-methylbut-3-enyl propyl ester
CID 91694559

Frequently Asked Questions

What is the IUPAC name of bis(pent-4-enyl) pentanedioate?
The IUPAC name of bis(pent-4-enyl) pentanedioate (CID 91694556) is bis(pent-4-enyl) pentanedioate.
What is the SMILES notation for bis(pent-4-enyl) pentanedioate?
The canonical SMILES for bis(pent-4-enyl) pentanedioate is C=CCCCOC(=O)CCCC(=O)OCCCC=C.
What is the InChIKey of bis(pent-4-enyl) pentanedioate?
The InChIKey is YBGGVDVUTAQJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-3-5-7-12-18-14(16)10-9-11-15(17)19-13-8-6-4-2/h3-4H,1-2,5-13H2.
What are the key properties of bis(pent-4-enyl) pentanedioate?
bis(pent-4-enyl) pentanedioate has a molecular weight of 268.35 g/mol, XLogP of 3.18, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pent-4-enyl) pentanedioate is sourced from PubChem (CID 91694556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).