hydron;pentanedial

C5H9O2+ — CID 87858118

IUPAChydron;pentanedial
SMILESO=CCCCC=O.[H+]
InChIInChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2/p+1
InChIKeySXRSQZLOMIGNAQ-UHFFFAOYSA-O
MW101.12 g/mol
LogP0.67
Rot. Bonds4

About hydron;pentanedial

hydron;pentanedial (PubChem CID 87858118) has the molecular formula C5H9O2+ and a molecular weight of 101.12 g/mol. Its IUPAC name is hydron;pentanedial.

Molecular Properties

Compound Namehydron;pentanedial
PubChem CID87858118
Molecular FormulaC5H9O2+
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Namehydron;pentanedial
SMILESO=CCCCC=O.[H+]
InChIInChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2/p+1
InChIKeySXRSQZLOMIGNAQ-UHFFFAOYSA-O
XLogP0.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pentanedial;silane
CID 173075190
hydrazine;pentanedial
CID 19882033
pentadecanedial
CID 22887412
CID 58827011
CID 58827011
butanal;pentanedial
CID 87991120
methanamine;methoxymethane;pentanedial
CID 143705104
pentanedial;periodic acid
CID 87536343
tetrasodium;pentanedial;disulfite
CID 157242168
cyanamide;pentanedial
CID 174727970
(E)-hept-2-enedial
CID 5283323
(Z)-hept-5-enal
CID 12625719
4-bromobutanal
CID 3016005

Frequently Asked Questions

What is the IUPAC name of hydron;pentanedial?
The IUPAC name of hydron;pentanedial (CID 87858118) is hydron;pentanedial.
What is the SMILES notation for hydron;pentanedial?
The canonical SMILES for hydron;pentanedial is O=CCCCC=O.[H+].
What is the InChIKey of hydron;pentanedial?
The InChIKey is SXRSQZLOMIGNAQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2/p+1.
What are the key properties of hydron;pentanedial?
hydron;pentanedial has a molecular weight of 101.12 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;pentanedial is sourced from PubChem (CID 87858118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).