1,1-dihydroxypropan-2-one;prop-2-enoic acid

C6H10O5 — CID 159954546

IUPAC1,1-dihydroxypropan-2-one;prop-2-enoic acid
SMILESC=CC(=O)O.CC(=O)C(O)O
InChIInChI=1S/C3H6O3.C3H4O2/c1-2(4)3(5)6;1-2-3(4)5/h3,5-6H,1H3;2H,1H2,(H,4,5)
InChIKeyOCNUZEDJCULPHH-UHFFFAOYSA-N
MW162.14 g/mol
LogP-0.86
Rot. Bonds2

About 1,1-dihydroxypropan-2-one;prop-2-enoic acid

1,1-dihydroxypropan-2-one;prop-2-enoic acid (PubChem CID 159954546) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is 1,1-dihydroxypropan-2-one;prop-2-enoic acid.

Molecular Properties

Compound Name1,1-dihydroxypropan-2-one;prop-2-enoic acid
PubChem CID159954546
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name1,1-dihydroxypropan-2-one;prop-2-enoic acid
SMILESC=CC(=O)O.CC(=O)C(O)O
InChIInChI=1S/C3H6O3.C3H4O2/c1-2(4)3(5)6;1-2-3(4)5/h3,5-6H,1H3;2H,1H2,(H,4,5)
InChIKeyOCNUZEDJCULPHH-UHFFFAOYSA-N
XLogP-0.86
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
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

tris(propan-2-ol);prop-2-enoic acid;titanium
CID 19993431
methanol;prop-2-enoic acid
CID 159043362
bis(prop-1-ene);prop-2-enoic acid
CID 118194844
methanethiol;prop-2-enoic acid
CID 158379466
prop-2-enoic acid;hydrochloride
CID 22354205
lutetium;tris(prop-2-enoic acid)
CID 168865611
prop-2-enoic acid;hexahydrate
CID 172682107
azane;prop-2-enoic acid
CID 173158019
cerium;bis(prop-2-enoic acid)
CID 169316659
CID 87061462
CID 87061462
bis(prop-2-enoic acid);hydrochloride
CID 88811054
iron(2+);prop-2-enoic acid
CID 10290804

Frequently Asked Questions

What is the IUPAC name of 1,1-dihydroxypropan-2-one;prop-2-enoic acid?
The IUPAC name of 1,1-dihydroxypropan-2-one;prop-2-enoic acid (CID 159954546) is 1,1-dihydroxypropan-2-one;prop-2-enoic acid.
What is the SMILES notation for 1,1-dihydroxypropan-2-one;prop-2-enoic acid?
The canonical SMILES for 1,1-dihydroxypropan-2-one;prop-2-enoic acid is C=CC(=O)O.CC(=O)C(O)O.
What is the InChIKey of 1,1-dihydroxypropan-2-one;prop-2-enoic acid?
The InChIKey is OCNUZEDJCULPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.C3H4O2/c1-2(4)3(5)6;1-2-3(4)5/h3,5-6H,1H3;2H,1H2,(H,4,5).
What are the key properties of 1,1-dihydroxypropan-2-one;prop-2-enoic acid?
1,1-dihydroxypropan-2-one;prop-2-enoic acid has a molecular weight of 162.14 g/mol, XLogP of -0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dihydroxypropan-2-one;prop-2-enoic acid is sourced from PubChem (CID 159954546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).