2,2-bis[2-(2-methylprop-2-enoyloxy)ethyl]butanedioic acid

C16H22O8 — CID 87354014

IUPAC2,2-bis[2-(2-methylprop-2-enoyloxy)ethyl]butanedioic acid
SMILESC=C(C)C(=O)OCCC(CCOC(=O)C(=C)C)(CC(=O)O)C(=O)O
InChIInChI=1S/C16H22O8/c1-10(2)13(19)23-7-5-16(15(21)22,9-12(17)18)6-8-24-14(20)11(3)4/h1,3,5-9H2,2,4H3,(H,17,18)(H,21,22)
InChIKeyKXVMYGHPBBVSFN-UHFFFAOYSA-N
MW342.34 g/mol
LogP1.55
Rot. Bonds11

About 2,2-bis[2-(2-methylprop-2-enoyloxy)ethyl]butanedioic acid

2,2-bis[2-(2-methylprop-2-enoyloxy)ethyl]butanedioic acid (PubChem CID 87354014) has the molecular formula C16H22O8 and a molecular weight of 342.34 g/mol. Its IUPAC name is 2,2-bis[2-(2-methylprop-2-enoyloxy)ethyl]butanedioic acid.

Molecular Properties

Compound Name2,2-bis[2-(2-methylprop-2-enoyloxy)ethyl]butanedioic acid
PubChem CID87354014
Molecular FormulaC16H22O8
Molecular Weight342.34 g/mol
Exact Mass342.13
IUPAC Name2,2-bis[2-(2-methylprop-2-enoyloxy)ethyl]butanedioic acid
SMILESC=C(C)C(=O)OCCC(CCOC(=O)C(=C)C)(CC(=O)O)C(=O)O
InChIInChI=1S/C16H22O8/c1-10(2)13(19)23-7-5-16(15(21)22,9-12(17)18)6-8-24-14(20)11(3)4/h1,3,5-9H2,2,4H3,(H,17,18)(H,21,22)
InChIKeyKXVMYGHPBBVSFN-UHFFFAOYSA-N
XLogP1.55
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methylprop-2-enoyloxy)ethyl]but-3-ene-1,2,3-tricarboxylic acid
CID 90808547
2-[2-(2-methylprop-2-enoyloxy)ethyl]-2-(2-methylprop-1-enyl)butanedioic acid
CID 161276010
[3-hydroxy-3-methyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 122518361
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
3,3-dimethylpentyl 2-methylprop-2-enoate
CID 20670454
2-hydroperoxyethyl 2-methylprop-2-enoate
CID 18987502
3,3-dimethylhexyl 2-methylprop-2-enoate
CID 59157270
bis(trimethyl-[2-methyl-4-(2-methylprop-2-enoyloxy)butan-2-yl]azanium) dichloride
CID 174680654
2-[2-(2-methylprop-2-enoyloxy)ethoxy]acetic acid
CID 23168599
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979

Frequently Asked Questions

What is the IUPAC name of 2,2-bis[2-(2-methylprop-2-enoyloxy)ethyl]butanedioic acid?
The IUPAC name of 2,2-bis[2-(2-methylprop-2-enoyloxy)ethyl]butanedioic acid (CID 87354014) is 2,2-bis[2-(2-methylprop-2-enoyloxy)ethyl]butanedioic acid.
What is the SMILES notation for 2,2-bis[2-(2-methylprop-2-enoyloxy)ethyl]butanedioic acid?
The canonical SMILES for 2,2-bis[2-(2-methylprop-2-enoyloxy)ethyl]butanedioic acid is C=C(C)C(=O)OCCC(CCOC(=O)C(=C)C)(CC(=O)O)C(=O)O.
What is the InChIKey of 2,2-bis[2-(2-methylprop-2-enoyloxy)ethyl]butanedioic acid?
The InChIKey is KXVMYGHPBBVSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O8/c1-10(2)13(19)23-7-5-16(15(21)22,9-12(17)18)6-8-24-14(20)11(3)4/h1,3,5-9H2,2,4H3,(H,17,18)(H,21,22).
What are the key properties of 2,2-bis[2-(2-methylprop-2-enoyloxy)ethyl]butanedioic acid?
2,2-bis[2-(2-methylprop-2-enoyloxy)ethyl]butanedioic acid has a molecular weight of 342.34 g/mol, XLogP of 1.55, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[2-(2-methylprop-2-enoyloxy)ethyl]butanedioic acid is sourced from PubChem (CID 87354014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).