(4R)-4-hydroxy-3,5-dimethoxypentanal

C7H14O4 — CID 88555944

IUPAC(4R)-4-hydroxy-3,5-dimethoxypentanal
SMILESCOC[C@@H](O)C(CC=O)OC
InChIInChI=1S/C7H14O4/c1-10-5-6(9)7(11-2)3-4-8/h4,6-7,9H,3,5H2,1-2H3/t6-,7?/m1/s1
InChIKeySFBPWIFTISUMSS-ULUSZKPHSA-N
MW162.19 g/mol
LogP-0.40
Rot. Bonds6

About (4R)-4-hydroxy-3,5-dimethoxypentanal

(4R)-4-hydroxy-3,5-dimethoxypentanal (PubChem CID 88555944) has the molecular formula C7H14O4 and a molecular weight of 162.19 g/mol. Its IUPAC name is (4R)-4-hydroxy-3,5-dimethoxypentanal.

Molecular Properties

Compound Name(4R)-4-hydroxy-3,5-dimethoxypentanal
PubChem CID88555944
Molecular FormulaC7H14O4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Name(4R)-4-hydroxy-3,5-dimethoxypentanal
SMILESCOC[C@@H](O)C(CC=O)OC
InChIInChI=1S/C7H14O4/c1-10-5-6(9)7(11-2)3-4-8/h4,6-7,9H,3,5H2,1-2H3/t6-,7?/m1/s1
InChIKeySFBPWIFTISUMSS-ULUSZKPHSA-N
XLogP-0.40
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-3,5-dimethoxypentanal?
The IUPAC name of (4R)-4-hydroxy-3,5-dimethoxypentanal (CID 88555944) is (4R)-4-hydroxy-3,5-dimethoxypentanal.
What is the SMILES notation for (4R)-4-hydroxy-3,5-dimethoxypentanal?
The canonical SMILES for (4R)-4-hydroxy-3,5-dimethoxypentanal is COC[C@@H](O)C(CC=O)OC.
What is the InChIKey of (4R)-4-hydroxy-3,5-dimethoxypentanal?
The InChIKey is SFBPWIFTISUMSS-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H14O4/c1-10-5-6(9)7(11-2)3-4-8/h4,6-7,9H,3,5H2,1-2H3/t6-,7?/m1/s1.
What are the key properties of (4R)-4-hydroxy-3,5-dimethoxypentanal?
(4R)-4-hydroxy-3,5-dimethoxypentanal has a molecular weight of 162.19 g/mol, XLogP of -0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-3,5-dimethoxypentanal is sourced from PubChem (CID 88555944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).