diprop-2-enoyl pentanedioate

C11H12O6 — CID 54164041

IUPACdiprop-2-enoyl pentanedioate
SMILESC=CC(=O)OC(=O)CCCC(=O)OC(=O)C=C
InChIInChI=1S/C11H12O6/c1-3-8(12)16-10(14)6-5-7-11(15)17-9(13)4-2/h3-4H,1-2,5-7H2
InChIKeyOQKIKRHSZKZJCV-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.67
Rot. Bonds6

About diprop-2-enoyl pentanedioate

diprop-2-enoyl pentanedioate (PubChem CID 54164041) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is diprop-2-enoyl pentanedioate.

Molecular Properties

Compound Namediprop-2-enoyl pentanedioate
PubChem CID54164041
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Namediprop-2-enoyl pentanedioate
SMILESC=CC(=O)OC(=O)CCCC(=O)OC(=O)C=C
InChIInChI=1S/C11H12O6/c1-3-8(12)16-10(14)6-5-7-11(15)17-9(13)4-2/h3-4H,1-2,5-7H2
InChIKeyOQKIKRHSZKZJCV-UHFFFAOYSA-N
XLogP0.67
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

prop-2-enoyl tetradecanoate
CID 157201572
prop-2-enoyl undec-10-enoate;zinc
CID 174962739
azane;1-O-methyl 4-O-prop-2-enoyl butanedioate
CID 174803065
potassium;hydride;1-O-methyl 4-O-prop-2-enoyl butanedioate
CID 174803239
ethyl 2-methylprop-2-enoate;prop-2-enoyl octadecanoate
CID 174977721
5-[4-[5-[(Z)-4-[5-[4-(4-carboxybutanoyloxy)-4-oxobutanoyl]oxy-5-oxopentanoyl]oxy-4-oxobut-2-enoyl]oxy-5-oxopentanoyl]oxy-4-oxobutanoyl]oxy-5-oxopentanoic acid
CID 88689288
sodium;hydride;1-O-methyl 3-O-prop-2-enoyl propanedioate
CID 174802772
butanoyl butanoate;2-methylpropanoyl 2-methylpropanoate;prop-2-enoyl butanoate;prop-2-enoyl 2-methylpropanoate
CID 163420054
[(2E)-penta-2,4-dienoyl] hept-6-enoate
CID 174531308
lithium;potassium;hydride;prop-2-enoyl prop-2-enoate
CID 173405151
prop-2-enoyl 2-(2-hydroxyethyl)but-2-enoate
CID 174585587
diformyl pentanedioate
CID 57199083

Frequently Asked Questions

What is the IUPAC name of diprop-2-enoyl pentanedioate?
The IUPAC name of diprop-2-enoyl pentanedioate (CID 54164041) is diprop-2-enoyl pentanedioate.
What is the SMILES notation for diprop-2-enoyl pentanedioate?
The canonical SMILES for diprop-2-enoyl pentanedioate is C=CC(=O)OC(=O)CCCC(=O)OC(=O)C=C.
What is the InChIKey of diprop-2-enoyl pentanedioate?
The InChIKey is OQKIKRHSZKZJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O6/c1-3-8(12)16-10(14)6-5-7-11(15)17-9(13)4-2/h3-4H,1-2,5-7H2.
What are the key properties of diprop-2-enoyl pentanedioate?
diprop-2-enoyl pentanedioate has a molecular weight of 240.21 g/mol, XLogP of 0.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diprop-2-enoyl pentanedioate is sourced from PubChem (CID 54164041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).