2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanal

C7H14O3 — CID 87971342

IUPAC2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanal
SMILESCC(C)(C)OCC(O)C=O
InChIInChI=1S/C7H14O3/c1-7(2,3)10-5-6(9)4-8/h4,6,9H,5H2,1-3H3
InChIKeyAUTDSHCKNBQLFS-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.36
Rot. Bonds3

About 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanal

2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanal (PubChem CID 87971342) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanal.

Molecular Properties

Compound Name2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanal
PubChem CID87971342
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanal
SMILESCC(C)(C)OCC(O)C=O
InChIInChI=1S/C7H14O3/c1-7(2,3)10-5-6(9)4-8/h4,6,9H,5H2,1-3H3
InChIKeyAUTDSHCKNBQLFS-UHFFFAOYSA-N
XLogP0.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.36
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 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanal?
The IUPAC name of 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanal (CID 87971342) is 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanal.
What is the SMILES notation for 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanal?
The canonical SMILES for 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanal is CC(C)(C)OCC(O)C=O.
What is the InChIKey of 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanal?
The InChIKey is AUTDSHCKNBQLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-7(2,3)10-5-6(9)4-8/h4,6,9H,5H2,1-3H3.
What are the key properties of 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanal?
2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanal has a molecular weight of 146.19 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanal is sourced from PubChem (CID 87971342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).