1,1-dihydroxyethyl 2-methylprop-2-enoate

C6H10O4 — CID 54314895

IUPAC1,1-dihydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(O)O
InChIInChI=1S/C6H10O4/c1-4(2)5(7)10-6(3,8)9/h8-9H,1H2,2-3H3
InChIKeySNMJMIRAGSQQMU-UHFFFAOYSA-N
MW146.14 g/mol
LogP-0.24
Rot. Bonds2

About 1,1-dihydroxyethyl 2-methylprop-2-enoate

1,1-dihydroxyethyl 2-methylprop-2-enoate (PubChem CID 54314895) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 1,1-dihydroxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,1-dihydroxyethyl 2-methylprop-2-enoate
PubChem CID54314895
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name1,1-dihydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(O)O
InChIInChI=1S/C6H10O4/c1-4(2)5(7)10-6(3,8)9/h8-9H,1H2,2-3H3
InChIKeySNMJMIRAGSQQMU-UHFFFAOYSA-N
XLogP-0.24
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 142750800
2-[2-(2-methylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 2-methylprop-2-enoate
CID 150274011
2-hydrazinylpropan-2-yl 2-methylprop-2-enoate
CID 163490890
[1-(2-methylprop-2-enoyloxy)-1-oxophosphaniumylethyl]-oxophosphanium
CID 151778354
methyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium
CID 59049083
[2,6-dimethyl-6-(2-methylprop-2-enoyloxy)-4-oxoheptan-2-yl] 2-methylprop-2-enoate
CID 139852007
(1,2,2,3,3,3-hexafluoro-1-hydroxypropyl) 2-methylprop-2-enoate
CID 174727333
1,1-bis(dihydroxyphosphinothioyl)ethyl 2-methylprop-2-enoate
CID 91322231
2,5,5-trimethylhexan-2-yl 2-methylprop-2-enoate
CID 88557517
[1-[bis[2-methyl-2-(2-methylprop-2-enoyloxy)propyl]amino]-2-methylpropan-2-yl] 2-methylprop-2-enoate
CID 87627513
2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate
CID 141014982
3-amino-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)butanoic acid
CID 87528916

Frequently Asked Questions

What is the IUPAC name of 1,1-dihydroxyethyl 2-methylprop-2-enoate?
The IUPAC name of 1,1-dihydroxyethyl 2-methylprop-2-enoate (CID 54314895) is 1,1-dihydroxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1,1-dihydroxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 1,1-dihydroxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(O)O.
What is the InChIKey of 1,1-dihydroxyethyl 2-methylprop-2-enoate?
The InChIKey is SNMJMIRAGSQQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-4(2)5(7)10-6(3,8)9/h8-9H,1H2,2-3H3.
What are the key properties of 1,1-dihydroxyethyl 2-methylprop-2-enoate?
1,1-dihydroxyethyl 2-methylprop-2-enoate has a molecular weight of 146.14 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dihydroxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 54314895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).