2-[2-(2-methylprop-2-enoyloxy)ethyl]-2-(2-methylprop-1-enyl)butanedioic acid

C14H20O6 — CID 161276010

IUPAC2-[2-(2-methylprop-2-enoyloxy)ethyl]-2-(2-methylprop-1-enyl)butanedioic acid
SMILESC=C(C)C(=O)OCCC(C=C(C)C)(CC(=O)O)C(=O)O
InChIInChI=1S/C14H20O6/c1-9(2)7-14(13(18)19,8-11(15)16)5-6-20-12(17)10(3)4/h7H,3,5-6,8H2,1-2,4H3,(H,15,16)(H,18,19)
InChIKeyVELHYIVIIYYYRF-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.01
Rot. Bonds8

About 2-[2-(2-methylprop-2-enoyloxy)ethyl]-2-(2-methylprop-1-enyl)butanedioic acid

2-[2-(2-methylprop-2-enoyloxy)ethyl]-2-(2-methylprop-1-enyl)butanedioic acid (PubChem CID 161276010) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enoyloxy)ethyl]-2-(2-methylprop-1-enyl)butanedioic acid.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoyloxy)ethyl]-2-(2-methylprop-1-enyl)butanedioic acid
PubChem CID161276010
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name2-[2-(2-methylprop-2-enoyloxy)ethyl]-2-(2-methylprop-1-enyl)butanedioic acid
SMILESC=C(C)C(=O)OCCC(C=C(C)C)(CC(=O)O)C(=O)O
InChIInChI=1S/C14H20O6/c1-9(2)7-14(13(18)19,8-11(15)16)5-6-20-12(17)10(3)4/h7H,3,5-6,8H2,1-2,4H3,(H,15,16)(H,18,19)
InChIKeyVELHYIVIIYYYRF-UHFFFAOYSA-N
XLogP2.01
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis[2-(2-methylprop-2-enoyloxy)ethyl]butanedioic acid
CID 87354014
2-[2-(2-methylprop-2-enoyloxy)ethyl]but-3-ene-1,2,3-tricarboxylic acid
CID 90808547
[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
2-aminoethyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 155355138
3,3-dimethylpentyl 2-methylprop-2-enoate
CID 20670454
(3,3-dimethoxy-3-methylsilylpropyl) 2-methylprop-2-enoate
CID 123567803
2-aminoethyl 2-methylprop-2-enoate;methane
CID 158487497
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986
bis(trimethyl-[2-methyl-4-(2-methylprop-2-enoyloxy)butan-2-yl]azanium) dichloride
CID 174680654

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-2-enoyloxy)ethyl]-2-(2-methylprop-1-enyl)butanedioic acid?
The IUPAC name of 2-[2-(2-methylprop-2-enoyloxy)ethyl]-2-(2-methylprop-1-enyl)butanedioic acid (CID 161276010) is 2-[2-(2-methylprop-2-enoyloxy)ethyl]-2-(2-methylprop-1-enyl)butanedioic acid.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoyloxy)ethyl]-2-(2-methylprop-1-enyl)butanedioic acid?
The canonical SMILES for 2-[2-(2-methylprop-2-enoyloxy)ethyl]-2-(2-methylprop-1-enyl)butanedioic acid is C=C(C)C(=O)OCCC(C=C(C)C)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-[2-(2-methylprop-2-enoyloxy)ethyl]-2-(2-methylprop-1-enyl)butanedioic acid?
The InChIKey is VELHYIVIIYYYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O6/c1-9(2)7-14(13(18)19,8-11(15)16)5-6-20-12(17)10(3)4/h7H,3,5-6,8H2,1-2,4H3,(H,15,16)(H,18,19).
What are the key properties of 2-[2-(2-methylprop-2-enoyloxy)ethyl]-2-(2-methylprop-1-enyl)butanedioic acid?
2-[2-(2-methylprop-2-enoyloxy)ethyl]-2-(2-methylprop-1-enyl)butanedioic acid has a molecular weight of 284.31 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-2-enoyloxy)ethyl]-2-(2-methylprop-1-enyl)butanedioic acid is sourced from PubChem (CID 161276010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).