bis(2-methylprop-2-enoyl) 2-(2-hydroxyethyl)butanedioate

C14H18O7 — CID 174159664

IUPACbis(2-methylprop-2-enoyl) 2-(2-hydroxyethyl)butanedioate
SMILESC=C(C)C(=O)OC(=O)CC(CCO)C(=O)OC(=O)C(=C)C
InChIInChI=1S/C14H18O7/c1-8(2)12(17)20-11(16)7-10(5-6-15)14(19)21-13(18)9(3)4/h10,15H,1,3,5-7H2,2,4H3
InChIKeyIHPHWNPKTHKANR-UHFFFAOYSA-N
MW298.29 g/mol
LogP0.67
Rot. Bonds7

About bis(2-methylprop-2-enoyl) 2-(2-hydroxyethyl)butanedioate

bis(2-methylprop-2-enoyl) 2-(2-hydroxyethyl)butanedioate (PubChem CID 174159664) has the molecular formula C14H18O7 and a molecular weight of 298.29 g/mol. Its IUPAC name is bis(2-methylprop-2-enoyl) 2-(2-hydroxyethyl)butanedioate.

Molecular Properties

Compound Namebis(2-methylprop-2-enoyl) 2-(2-hydroxyethyl)butanedioate
PubChem CID174159664
Molecular FormulaC14H18O7
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Namebis(2-methylprop-2-enoyl) 2-(2-hydroxyethyl)butanedioate
SMILESC=C(C)C(=O)OC(=O)CC(CCO)C(=O)OC(=O)C(=C)C
InChIInChI=1S/C14H18O7/c1-8(2)12(17)20-11(16)7-10(5-6-15)14(19)21-13(18)9(3)4/h10,15H,1,3,5-7H2,2,4H3
InChIKeyIHPHWNPKTHKANR-UHFFFAOYSA-N
XLogP0.67
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

sodium;acetyl 2-methylprop-2-enoate;hydride
CID 174757857
2-methylprop-2-enoyl 2-hydroxypentanoate
CID 175550254
2-methylprop-2-enoyl 3-oxobutanoate
CID 22608979
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
[3-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-trimethylazanium
CID 23178940
2-methylprop-2-enoyl butanoate
CID 19018301
2-(2-hydroxyethoxy)ethanol;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 174279431
2-methylprop-2-enoyl (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 139489629
[3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 87650049
2-methylprop-2-enoyl butanoate;zirconium
CID 87105460
2-methylprop-2-enoyl (2S)-2-amino-4-methylpentanoate
CID 175101609
1,2,4-trihydroxybutyl 2-methylprop-2-enoate
CID 22605120

Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-2-enoyl) 2-(2-hydroxyethyl)butanedioate?
The IUPAC name of bis(2-methylprop-2-enoyl) 2-(2-hydroxyethyl)butanedioate (CID 174159664) is bis(2-methylprop-2-enoyl) 2-(2-hydroxyethyl)butanedioate.
What is the SMILES notation for bis(2-methylprop-2-enoyl) 2-(2-hydroxyethyl)butanedioate?
The canonical SMILES for bis(2-methylprop-2-enoyl) 2-(2-hydroxyethyl)butanedioate is C=C(C)C(=O)OC(=O)CC(CCO)C(=O)OC(=O)C(=C)C.
What is the InChIKey of bis(2-methylprop-2-enoyl) 2-(2-hydroxyethyl)butanedioate?
The InChIKey is IHPHWNPKTHKANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O7/c1-8(2)12(17)20-11(16)7-10(5-6-15)14(19)21-13(18)9(3)4/h10,15H,1,3,5-7H2,2,4H3.
What are the key properties of bis(2-methylprop-2-enoyl) 2-(2-hydroxyethyl)butanedioate?
bis(2-methylprop-2-enoyl) 2-(2-hydroxyethyl)butanedioate has a molecular weight of 298.29 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-2-enoyl) 2-(2-hydroxyethyl)butanedioate is sourced from PubChem (CID 174159664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).