1,2,3,3-tetrahydroxyprop-2-enyl 2-methylprop-2-enoate

C7H10O6 — CID 140615515

IUPAC1,2,3,3-tetrahydroxyprop-2-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(O)C(O)=C(O)O
InChIInChI=1S/C7H10O6/c1-3(2)6(11)13-7(12)4(8)5(9)10/h7-10,12H,1H2,2H3
InChIKeyRHLBNNUVSKKJQT-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.27
Rot. Bonds3

About 1,2,3,3-tetrahydroxyprop-2-enyl 2-methylprop-2-enoate

1,2,3,3-tetrahydroxyprop-2-enyl 2-methylprop-2-enoate (PubChem CID 140615515) has the molecular formula C7H10O6 and a molecular weight of 190.15 g/mol. Its IUPAC name is 1,2,3,3-tetrahydroxyprop-2-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,2,3,3-tetrahydroxyprop-2-enyl 2-methylprop-2-enoate
PubChem CID140615515
Molecular FormulaC7H10O6
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Name1,2,3,3-tetrahydroxyprop-2-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(O)C(O)=C(O)O
InChIInChI=1S/C7H10O6/c1-3(2)6(11)13-7(12)4(8)5(9)10/h7-10,12H,1H2,2H3
InChIKeyRHLBNNUVSKKJQT-UHFFFAOYSA-N
XLogP0.27
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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

2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773
propan-2-yl 2-methylprop-2-enoate
CID 146421311
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
(1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 54304297
diaminomethyl 2-methylprop-2-enoate
CID 18522879
methanol;2-(2-methylprop-2-enoyloxy)propanoic acid
CID 174868597
dimethoxymethyl 2-methylprop-2-enoate
CID 23110377
(2,5-dimethyl-4-propan-2-ylhexan-3-yl) 2-methylprop-2-enoate
CID 154996770
1-aminoethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 174390329
[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 88713969
1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride
CID 87215284

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3-tetrahydroxyprop-2-enyl 2-methylprop-2-enoate?
The IUPAC name of 1,2,3,3-tetrahydroxyprop-2-enyl 2-methylprop-2-enoate (CID 140615515) is 1,2,3,3-tetrahydroxyprop-2-enyl 2-methylprop-2-enoate.
What is the SMILES notation for 1,2,3,3-tetrahydroxyprop-2-enyl 2-methylprop-2-enoate?
The canonical SMILES for 1,2,3,3-tetrahydroxyprop-2-enyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(O)C(O)=C(O)O.
What is the InChIKey of 1,2,3,3-tetrahydroxyprop-2-enyl 2-methylprop-2-enoate?
The InChIKey is RHLBNNUVSKKJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O6/c1-3(2)6(11)13-7(12)4(8)5(9)10/h7-10,12H,1H2,2H3.
What are the key properties of 1,2,3,3-tetrahydroxyprop-2-enyl 2-methylprop-2-enoate?
1,2,3,3-tetrahydroxyprop-2-enyl 2-methylprop-2-enoate has a molecular weight of 190.15 g/mol, XLogP of 0.27, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3-tetrahydroxyprop-2-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 140615515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).