2-hydroxypentanedial;3-methylpentanedial

C11H18O5 — CID 118362127

IUPAC2-hydroxypentanedial;3-methylpentanedial
SMILESCC(CC=O)CC=O.O=CCCC(O)C=O
InChIInChI=1S/C6H10O2.C5H8O3/c1-6(2-4-7)3-5-8;6-3-1-2-5(8)4-7/h4-6H,2-3H2,1H3;3-5,8H,1-2H2
InChIKeyJIBATVRMFVIVCO-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.33
Rot. Bonds8

About 2-hydroxypentanedial;3-methylpentanedial

2-hydroxypentanedial;3-methylpentanedial (PubChem CID 118362127) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-hydroxypentanedial;3-methylpentanedial.

Molecular Properties

Compound Name2-hydroxypentanedial;3-methylpentanedial
PubChem CID118362127
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name2-hydroxypentanedial;3-methylpentanedial
SMILESCC(CC=O)CC=O.O=CCCC(O)C=O
InChIInChI=1S/C6H10O2.C5H8O3/c1-6(2-4-7)3-5-8;6-3-1-2-5(8)4-7/h4-6H,2-3H2,1H3;3-5,8H,1-2H2
InChIKeyJIBATVRMFVIVCO-UHFFFAOYSA-N
XLogP0.33
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.33
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 2-hydroxypentanedial;3-methylpentanedial?
The IUPAC name of 2-hydroxypentanedial;3-methylpentanedial (CID 118362127) is 2-hydroxypentanedial;3-methylpentanedial.
What is the SMILES notation for 2-hydroxypentanedial;3-methylpentanedial?
The canonical SMILES for 2-hydroxypentanedial;3-methylpentanedial is CC(CC=O)CC=O.O=CCCC(O)C=O.
What is the InChIKey of 2-hydroxypentanedial;3-methylpentanedial?
The InChIKey is JIBATVRMFVIVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C5H8O3/c1-6(2-4-7)3-5-8;6-3-1-2-5(8)4-7/h4-6H,2-3H2,1H3;3-5,8H,1-2H2.
What are the key properties of 2-hydroxypentanedial;3-methylpentanedial?
2-hydroxypentanedial;3-methylpentanedial has a molecular weight of 230.26 g/mol, XLogP of 0.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypentanedial;3-methylpentanedial is sourced from PubChem (CID 118362127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).