3,8-dihydroxyoctanal

C8H16O3 — CID 91337771

IUPAC3,8-dihydroxyoctanal
SMILESO=CCC(O)CCCCCO
InChIInChI=1S/C8H16O3/c9-6-3-1-2-4-8(11)5-7-10/h7-9,11H,1-6H2
InChIKeyQZLISUNRIJDCNX-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.49
Rot. Bonds7

About 3,8-dihydroxyoctanal

3,8-dihydroxyoctanal (PubChem CID 91337771) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3,8-dihydroxyoctanal.

Molecular Properties

Compound Name3,8-dihydroxyoctanal
PubChem CID91337771
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3,8-dihydroxyoctanal
SMILESO=CCC(O)CCCCCO
InChIInChI=1S/C8H16O3/c9-6-3-1-2-4-8(11)5-7-10/h7-9,11H,1-6H2
InChIKeyQZLISUNRIJDCNX-UHFFFAOYSA-N
XLogP0.49
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-hydroxyheptadecanal
CID 15268158
heptacosane-1,10,27-triol
CID 56980866
hexacosane-1,8,19,26-tetrol
CID 167004997
hexadecane-1,8,16-triol
CID 11403100
tridecane-1,4,13-triol
CID 90439734
(3S)-3-hydroxyheptanal
CID 15258469
3-hydroxytetradec-9-enal
CID 91388067
3-hydroxyhexadec-9-enal
CID 175100822
hexadecane-1,3,16-triol
CID 90439794
octadecane-1,3,18-triol
CID 90439804
undecane-1,9-diol
CID 56629636
decane-1,8-diol
CID 160857478

Frequently Asked Questions

What is the IUPAC name of 3,8-dihydroxyoctanal?
The IUPAC name of 3,8-dihydroxyoctanal (CID 91337771) is 3,8-dihydroxyoctanal.
What is the SMILES notation for 3,8-dihydroxyoctanal?
The canonical SMILES for 3,8-dihydroxyoctanal is O=CCC(O)CCCCCO.
What is the InChIKey of 3,8-dihydroxyoctanal?
The InChIKey is QZLISUNRIJDCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c9-6-3-1-2-4-8(11)5-7-10/h7-9,11H,1-6H2.
What are the key properties of 3,8-dihydroxyoctanal?
3,8-dihydroxyoctanal has a molecular weight of 160.21 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dihydroxyoctanal is sourced from PubChem (CID 91337771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).