oxaldehyde;pentanedial

C7H10O4 — CID 22628748

IUPACoxaldehyde;pentanedial
SMILESO=CC=O.O=CCCCC=O
InChIInChI=1S/C5H8O2.C2H2O2/c6-4-2-1-3-5-7;3-1-2-4/h4-5H,1-3H2;1-2H
InChIKeyNCKXRWJWVLCUEI-UHFFFAOYSA-N
MW158.15 g/mol
LogP-0.06
Rot. Bonds5

About oxaldehyde;pentanedial

oxaldehyde;pentanedial (PubChem CID 22628748) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is oxaldehyde;pentanedial.

Molecular Properties

Compound Nameoxaldehyde;pentanedial
PubChem CID22628748
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Nameoxaldehyde;pentanedial
SMILESO=CC=O.O=CCCCC=O
InChIInChI=1S/C5H8O2.C2H2O2/c6-4-2-1-3-5-7;3-1-2-4/h4-5H,1-3H2;1-2H
InChIKeyNCKXRWJWVLCUEI-UHFFFAOYSA-N
XLogP-0.06
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxaldehyde;pentanedial?
The IUPAC name of oxaldehyde;pentanedial (CID 22628748) is oxaldehyde;pentanedial.
What is the SMILES notation for oxaldehyde;pentanedial?
The canonical SMILES for oxaldehyde;pentanedial is O=CC=O.O=CCCCC=O.
What is the InChIKey of oxaldehyde;pentanedial?
The InChIKey is NCKXRWJWVLCUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C2H2O2/c6-4-2-1-3-5-7;3-1-2-4/h4-5H,1-3H2;1-2H.
What are the key properties of oxaldehyde;pentanedial?
oxaldehyde;pentanedial has a molecular weight of 158.15 g/mol, XLogP of -0.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxaldehyde;pentanedial is sourced from PubChem (CID 22628748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).