5-hydroxy-2,3,4-trimethoxypentanal

C8H16O5 — CID 14194048

IUPAC5-hydroxy-2,3,4-trimethoxypentanal
SMILESCOC(C=O)C(OC)C(CO)OC
InChIInChI=1S/C8H16O5/c1-11-6(4-9)8(13-3)7(5-10)12-2/h4,6-8,10H,5H2,1-3H3
InChIKeyTZGIHUVVJVQDHY-UHFFFAOYSA-N
MW192.21 g/mol
LogP-0.78
Rot. Bonds7

About 5-hydroxy-2,3,4-trimethoxypentanal

5-hydroxy-2,3,4-trimethoxypentanal (PubChem CID 14194048) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is 5-hydroxy-2,3,4-trimethoxypentanal.

Molecular Properties

Compound Name5-hydroxy-2,3,4-trimethoxypentanal
PubChem CID14194048
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name5-hydroxy-2,3,4-trimethoxypentanal
SMILESCOC(C=O)C(OC)C(CO)OC
InChIInChI=1S/C8H16O5/c1-11-6(4-9)8(13-3)7(5-10)12-2/h4,6-8,10H,5H2,1-3H3
InChIKeyTZGIHUVVJVQDHY-UHFFFAOYSA-N
XLogP-0.78
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-2,3,4-trimethoxypentanal?
The IUPAC name of 5-hydroxy-2,3,4-trimethoxypentanal (CID 14194048) is 5-hydroxy-2,3,4-trimethoxypentanal.
What is the SMILES notation for 5-hydroxy-2,3,4-trimethoxypentanal?
The canonical SMILES for 5-hydroxy-2,3,4-trimethoxypentanal is COC(C=O)C(OC)C(CO)OC.
What is the InChIKey of 5-hydroxy-2,3,4-trimethoxypentanal?
The InChIKey is TZGIHUVVJVQDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5/c1-11-6(4-9)8(13-3)7(5-10)12-2/h4,6-8,10H,5H2,1-3H3.
What are the key properties of 5-hydroxy-2,3,4-trimethoxypentanal?
5-hydroxy-2,3,4-trimethoxypentanal has a molecular weight of 192.21 g/mol, XLogP of -0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,3,4-trimethoxypentanal is sourced from PubChem (CID 14194048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).