8-(trioxidanyl)octan-1-ol

C8H18O4 — CID 87737807

IUPAC8-(trioxidanyl)octan-1-ol
SMILESOCCCCCCCCOOO
InChIInChI=1S/C8H18O4/c9-7-5-3-1-2-4-6-8-11-12-10/h9-10H,1-8H2
InChIKeyXGZJBSRPJOJVRW-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.74
Rot. Bonds9

About 8-(trioxidanyl)octan-1-ol

8-(trioxidanyl)octan-1-ol (PubChem CID 87737807) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is 8-(trioxidanyl)octan-1-ol.

Molecular Properties

Compound Name8-(trioxidanyl)octan-1-ol
PubChem CID87737807
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name8-(trioxidanyl)octan-1-ol
SMILESOCCCCCCCCOOO
InChIInChI=1S/C8H18O4/c9-7-5-3-1-2-4-6-8-11-12-10/h9-10H,1-8H2
InChIKeyXGZJBSRPJOJVRW-UHFFFAOYSA-N
XLogP1.74
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 8-(trioxidanyl)octan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,9-bis(trioxidanyl)nonane
CID 175757644
1-(trioxidanyl)tetradecane
CID 90111770
2-(trioxidanyl)ethanol
CID 123836942
8-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]octan-1-ol
CID 134883516
12-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecan-1-ol
CID 134883585
5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]pentan-1-ol
CID 87403032
CID 174954597
CID 174954597
4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305
7-(trioxidanyl)hept-1-ene
CID 90829366
7-(trioxidanyl)heptanoic acid
CID 150083472
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
pentadecane-1,15-diol
CID 518994

Frequently Asked Questions

What is the IUPAC name of 8-(trioxidanyl)octan-1-ol?
The IUPAC name of 8-(trioxidanyl)octan-1-ol (CID 87737807) is 8-(trioxidanyl)octan-1-ol.
What is the SMILES notation for 8-(trioxidanyl)octan-1-ol?
The canonical SMILES for 8-(trioxidanyl)octan-1-ol is OCCCCCCCCOOO.
What is the InChIKey of 8-(trioxidanyl)octan-1-ol?
The InChIKey is XGZJBSRPJOJVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4/c9-7-5-3-1-2-4-6-8-11-12-10/h9-10H,1-8H2.
What are the key properties of 8-(trioxidanyl)octan-1-ol?
8-(trioxidanyl)octan-1-ol has a molecular weight of 178.23 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trioxidanyl)octan-1-ol is sourced from PubChem (CID 87737807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).