(2R)-3-hydroxy-2-pentan-3-yloxypropanal

C8H16O3 — CID 46217240

IUPAC(2R)-3-hydroxy-2-pentan-3-yloxypropanal
SMILESCCC(CC)O[C@@H](C=O)CO
InChIInChI=1S/C8H16O3/c1-3-7(4-2)11-8(5-9)6-10/h5,7-8,10H,3-4,6H2,1-2H3/t8-/m0/s1
InChIKeyFUXZNGUDCVGNJZ-QMMMGPOBSA-N
MW160.21 g/mol
LogP0.75
Rot. Bonds6

About (2R)-3-hydroxy-2-pentan-3-yloxypropanal

(2R)-3-hydroxy-2-pentan-3-yloxypropanal (PubChem CID 46217240) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-pentan-3-yloxypropanal.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-pentan-3-yloxypropanal
PubChem CID46217240
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2R)-3-hydroxy-2-pentan-3-yloxypropanal
SMILESCCC(CC)O[C@@H](C=O)CO
InChIInChI=1S/C8H16O3/c1-3-7(4-2)11-8(5-9)6-10/h5,7-8,10H,3-4,6H2,1-2H3/t8-/m0/s1
InChIKeyFUXZNGUDCVGNJZ-QMMMGPOBSA-N
XLogP0.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-pentan-3-yloxypropanal?
The IUPAC name of (2R)-3-hydroxy-2-pentan-3-yloxypropanal (CID 46217240) is (2R)-3-hydroxy-2-pentan-3-yloxypropanal.
What is the SMILES notation for (2R)-3-hydroxy-2-pentan-3-yloxypropanal?
The canonical SMILES for (2R)-3-hydroxy-2-pentan-3-yloxypropanal is CCC(CC)O[C@@H](C=O)CO.
What is the InChIKey of (2R)-3-hydroxy-2-pentan-3-yloxypropanal?
The InChIKey is FUXZNGUDCVGNJZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-7(4-2)11-8(5-9)6-10/h5,7-8,10H,3-4,6H2,1-2H3/t8-/m0/s1.
What are the key properties of (2R)-3-hydroxy-2-pentan-3-yloxypropanal?
(2R)-3-hydroxy-2-pentan-3-yloxypropanal has a molecular weight of 160.21 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-pentan-3-yloxypropanal is sourced from PubChem (CID 46217240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).