5-hydroxy-2,2,4-trimethylpentanal

C8H16O2 — CID 91088548

IUPAC5-hydroxy-2,2,4-trimethylpentanal
SMILESCC(CO)CC(C)(C)C=O
InChIInChI=1S/C8H16O2/c1-7(5-9)4-8(2,3)6-10/h6-7,9H,4-5H2,1-3H3
InChIKeyJFTFCXMHFGIJSY-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.23
Rot. Bonds4

About 5-hydroxy-2,2,4-trimethylpentanal

5-hydroxy-2,2,4-trimethylpentanal (PubChem CID 91088548) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 5-hydroxy-2,2,4-trimethylpentanal.

Molecular Properties

Compound Name5-hydroxy-2,2,4-trimethylpentanal
PubChem CID91088548
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name5-hydroxy-2,2,4-trimethylpentanal
SMILESCC(CO)CC(C)(C)C=O
InChIInChI=1S/C8H16O2/c1-7(5-9)4-8(2,3)6-10/h6-7,9H,4-5H2,1-3H3
InChIKeyJFTFCXMHFGIJSY-UHFFFAOYSA-N
XLogP1.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,2,4-trimethylpentanal?
The IUPAC name of 5-hydroxy-2,2,4-trimethylpentanal (CID 91088548) is 5-hydroxy-2,2,4-trimethylpentanal.
What is the SMILES notation for 5-hydroxy-2,2,4-trimethylpentanal?
The canonical SMILES for 5-hydroxy-2,2,4-trimethylpentanal is CC(CO)CC(C)(C)C=O.
What is the InChIKey of 5-hydroxy-2,2,4-trimethylpentanal?
The InChIKey is JFTFCXMHFGIJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(5-9)4-8(2,3)6-10/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 5-hydroxy-2,2,4-trimethylpentanal?
5-hydroxy-2,2,4-trimethylpentanal has a molecular weight of 144.21 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,2,4-trimethylpentanal is sourced from PubChem (CID 91088548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).