2,3,4,5-tetrahydrooxonine

C8H12O — CID 91012714

IUPAC2,3,4,5-tetrahydrooxonine
SMILESC1=CCCCCOC=C1
InChIInChI=1S/C8H12O/c1-2-4-6-8-9-7-5-3-1/h1,3,5,7H,2,4,6,8H2
InChIKeyFWNQNZMMPWWQHJ-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.26
Rot. Bonds

About 2,3,4,5-tetrahydrooxonine

2,3,4,5-tetrahydrooxonine (PubChem CID 91012714) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2,3,4,5-tetrahydrooxonine.

Molecular Properties

Compound Name2,3,4,5-tetrahydrooxonine
PubChem CID91012714
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2,3,4,5-tetrahydrooxonine
SMILESC1=CCCCCOC=C1
InChIInChI=1S/C8H12O/c1-2-4-6-8-9-7-5-3-1/h1,3,5,7H,2,4,6,8H2
InChIKeyFWNQNZMMPWWQHJ-UHFFFAOYSA-N
XLogP2.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,4,5-tetrahydrooxonine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydrooxonine?
The IUPAC name of 2,3,4,5-tetrahydrooxonine (CID 91012714) is 2,3,4,5-tetrahydrooxonine.
What is the SMILES notation for 2,3,4,5-tetrahydrooxonine?
The canonical SMILES for 2,3,4,5-tetrahydrooxonine is C1=CCCCCOC=C1.
What is the InChIKey of 2,3,4,5-tetrahydrooxonine?
The InChIKey is FWNQNZMMPWWQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-2-4-6-8-9-7-5-3-1/h1,3,5,7H,2,4,6,8H2.
What are the key properties of 2,3,4,5-tetrahydrooxonine?
2,3,4,5-tetrahydrooxonine has a molecular weight of 124.18 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydrooxonine is sourced from PubChem (CID 91012714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).