5-hydroxyoctanal

C8H16O2 — CID 54248840

IUPAC5-hydroxyoctanal
SMILESCCCC(O)CCCC=O
InChIInChI=1S/C8H16O2/c1-2-5-8(10)6-3-4-7-9/h7-8,10H,2-6H2,1H3
InChIKeyQVGWQEOFNGJAOO-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.52
Rot. Bonds6

About 5-hydroxyoctanal

5-hydroxyoctanal (PubChem CID 54248840) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 5-hydroxyoctanal.

Molecular Properties

Compound Name5-hydroxyoctanal
PubChem CID54248840
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name5-hydroxyoctanal
SMILESCCCC(O)CCCC=O
InChIInChI=1S/C8H16O2/c1-2-5-8(10)6-3-4-7-9/h7-8,10H,2-6H2,1H3
InChIKeyQVGWQEOFNGJAOO-UHFFFAOYSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
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

6-hydroxydecanal
CID 86178467
(4R,8R)-undecane-4,8-diol
CID 101372142
12-hydroxytetradecanal
CID 90714775
dec-8-en-4-ol
CID 56606618
(E)-dec-8-en-4-ol
CID 19937281
magnesium;hydride;5-propyloctanal
CID 173415253
(Z)-4-hydroxyoctadec-9-enal
CID 173341795
N-(3-hydroxyhexyl)formamide
CID 54084231
(4S)-nonadecan-4-ol
CID 89325355
octacosan-4-ol
CID 54117167
(E)-12-hydroxyoctadec-9-enal
CID 87273358
(3S)-3-hydroxyheptanal
CID 15258469

Frequently Asked Questions

What is the IUPAC name of 5-hydroxyoctanal?
The IUPAC name of 5-hydroxyoctanal (CID 54248840) is 5-hydroxyoctanal.
What is the SMILES notation for 5-hydroxyoctanal?
The canonical SMILES for 5-hydroxyoctanal is CCCC(O)CCCC=O.
What is the InChIKey of 5-hydroxyoctanal?
The InChIKey is QVGWQEOFNGJAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-5-8(10)6-3-4-7-9/h7-8,10H,2-6H2,1H3.
What are the key properties of 5-hydroxyoctanal?
5-hydroxyoctanal has a molecular weight of 144.21 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxyoctanal is sourced from PubChem (CID 54248840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).