3,3-dihydroxy-2,2-dimethylpropanal

C5H10O3 — CID 87114875

IUPAC3,3-dihydroxy-2,2-dimethylpropanal
SMILESCC(C)(C=O)C(O)O
InChIInChI=1S/C5H10O3/c1-5(2,3-6)4(7)8/h3-4,7-8H,1-2H3
InChIKeyHWEMZIUTOUVWKW-UHFFFAOYSA-N
MW118.13 g/mol
LogP-0.48
Rot. Bonds2

About 3,3-dihydroxy-2,2-dimethylpropanal

3,3-dihydroxy-2,2-dimethylpropanal (PubChem CID 87114875) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is 3,3-dihydroxy-2,2-dimethylpropanal.

Molecular Properties

Compound Name3,3-dihydroxy-2,2-dimethylpropanal
PubChem CID87114875
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name3,3-dihydroxy-2,2-dimethylpropanal
SMILESCC(C)(C=O)C(O)O
InChIInChI=1S/C5H10O3/c1-5(2,3-6)4(7)8/h3-4,7-8H,1-2H3
InChIKeyHWEMZIUTOUVWKW-UHFFFAOYSA-N
XLogP-0.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dihydroxy-2,2-dimethylpropanal?
The IUPAC name of 3,3-dihydroxy-2,2-dimethylpropanal (CID 87114875) is 3,3-dihydroxy-2,2-dimethylpropanal.
What is the SMILES notation for 3,3-dihydroxy-2,2-dimethylpropanal?
The canonical SMILES for 3,3-dihydroxy-2,2-dimethylpropanal is CC(C)(C=O)C(O)O.
What is the InChIKey of 3,3-dihydroxy-2,2-dimethylpropanal?
The InChIKey is HWEMZIUTOUVWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-5(2,3-6)4(7)8/h3-4,7-8H,1-2H3.
What are the key properties of 3,3-dihydroxy-2,2-dimethylpropanal?
3,3-dihydroxy-2,2-dimethylpropanal has a molecular weight of 118.13 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dihydroxy-2,2-dimethylpropanal is sourced from PubChem (CID 87114875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).