2,2-bis(2-methylprop-2-enoyloxy)acetic acid

C10H12O6 — CID 56621773

IUPAC2,2-bis(2-methylprop-2-enoyloxy)acetic acid
SMILESC=C(C)C(=O)OC(OC(=O)C(=C)C)C(=O)O
InChIInChI=1S/C10H12O6/c1-5(2)8(13)15-10(7(11)12)16-9(14)6(3)4/h10H,1,3H2,2,4H3,(H,11,12)
InChIKeyNPKDKOFJAUBGLT-UHFFFAOYSA-N
MW228.20 g/mol
LogP0.64
Rot. Bonds5

About 2,2-bis(2-methylprop-2-enoyloxy)acetic acid

2,2-bis(2-methylprop-2-enoyloxy)acetic acid (PubChem CID 56621773) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is 2,2-bis(2-methylprop-2-enoyloxy)acetic acid.

Molecular Properties

Compound Name2,2-bis(2-methylprop-2-enoyloxy)acetic acid
PubChem CID56621773
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Name2,2-bis(2-methylprop-2-enoyloxy)acetic acid
SMILESC=C(C)C(=O)OC(OC(=O)C(=C)C)C(=O)O
InChIInChI=1S/C10H12O6/c1-5(2)8(13)15-10(7(11)12)16-9(14)6(3)4/h10H,1,3H2,2,4H3,(H,11,12)
InChIKeyNPKDKOFJAUBGLT-UHFFFAOYSA-N
XLogP0.64
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methanol;2-(2-methylprop-2-enoyloxy)propanoic acid
CID 174868597
propan-2-yl 2-methylprop-2-enoate
CID 146421311
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
1,2,3,3-tetrahydroxyprop-2-enyl 2-methylprop-2-enoate
CID 140615515
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
diaminomethyl 2-methylprop-2-enoate
CID 18522879
3-chloro-2-(2-methylprop-2-enoyloxy)propanoic acid
CID 174387747
2-(2-methylprop-2-enoyloxy)-4-oxopentanoic acid
CID 174633103
dimethoxymethyl 2-methylprop-2-enoate
CID 23110377
1-aminoethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 174390329
but-3-en-2-yl 2-methylprop-2-enoate;carbonic acid
CID 175587057
1-acetyloxyethyl 2-methylprop-2-enoate
CID 18517368

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-methylprop-2-enoyloxy)acetic acid?
The IUPAC name of 2,2-bis(2-methylprop-2-enoyloxy)acetic acid (CID 56621773) is 2,2-bis(2-methylprop-2-enoyloxy)acetic acid.
What is the SMILES notation for 2,2-bis(2-methylprop-2-enoyloxy)acetic acid?
The canonical SMILES for 2,2-bis(2-methylprop-2-enoyloxy)acetic acid is C=C(C)C(=O)OC(OC(=O)C(=C)C)C(=O)O.
What is the InChIKey of 2,2-bis(2-methylprop-2-enoyloxy)acetic acid?
The InChIKey is NPKDKOFJAUBGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O6/c1-5(2)8(13)15-10(7(11)12)16-9(14)6(3)4/h10H,1,3H2,2,4H3,(H,11,12).
What are the key properties of 2,2-bis(2-methylprop-2-enoyloxy)acetic acid?
2,2-bis(2-methylprop-2-enoyloxy)acetic acid has a molecular weight of 228.20 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-methylprop-2-enoyloxy)acetic acid is sourced from PubChem (CID 56621773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).