2,3,4,5,6,7-hexahydrooxonine

C8H14O — CID 90706142

IUPAC2,3,4,5,6,7-hexahydrooxonine
SMILESC1=COCCCCCC1
InChIInChI=1S/C8H14O/c1-2-4-6-8-9-7-5-3-1/h5,7H,1-4,6,8H2
InChIKeyOKESJPVDHSFKHI-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.48
Rot. Bonds

About 2,3,4,5,6,7-hexahydrooxonine

2,3,4,5,6,7-hexahydrooxonine (PubChem CID 90706142) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexahydrooxonine.

Molecular Properties

Compound Name2,3,4,5,6,7-hexahydrooxonine
PubChem CID90706142
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2,3,4,5,6,7-hexahydrooxonine
SMILESC1=COCCCCCC1
InChIInChI=1S/C8H14O/c1-2-4-6-8-9-7-5-3-1/h5,7H,1-4,6,8H2
InChIKeyOKESJPVDHSFKHI-UHFFFAOYSA-N
XLogP2.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7-hexahydrooxonine?
The IUPAC name of 2,3,4,5,6,7-hexahydrooxonine (CID 90706142) is 2,3,4,5,6,7-hexahydrooxonine.
What is the SMILES notation for 2,3,4,5,6,7-hexahydrooxonine?
The canonical SMILES for 2,3,4,5,6,7-hexahydrooxonine is C1=COCCCCCC1.
What is the InChIKey of 2,3,4,5,6,7-hexahydrooxonine?
The InChIKey is OKESJPVDHSFKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-2-4-6-8-9-7-5-3-1/h5,7H,1-4,6,8H2.
What are the key properties of 2,3,4,5,6,7-hexahydrooxonine?
2,3,4,5,6,7-hexahydrooxonine has a molecular weight of 126.20 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexahydrooxonine is sourced from PubChem (CID 90706142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).