(6Z,8Z)-2,3,4,5-tetrahydrooxonine

C8H12O — CID 118239361

IUPAC(6Z,8Z)-2,3,4,5-tetrahydrooxonine
SMILESC1=C\CCCCO\C=C/1
InChIInChI=1S/C8H12O/c1-2-4-6-8-9-7-5-3-1/h1,3,5,7H,2,4,6,8H2/b3-1-,7-5-
InChIKeyFWNQNZMMPWWQHJ-RMKIQZFVSA-N
MW124.18 g/mol
LogP2.26
Rot. Bonds

About (6Z,8Z)-2,3,4,5-tetrahydrooxonine

(6Z,8Z)-2,3,4,5-tetrahydrooxonine (PubChem CID 118239361) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (6Z,8Z)-2,3,4,5-tetrahydrooxonine.

Molecular Properties

Compound Name(6Z,8Z)-2,3,4,5-tetrahydrooxonine
PubChem CID118239361
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(6Z,8Z)-2,3,4,5-tetrahydrooxonine
SMILESC1=C\CCCCO\C=C/1
InChIInChI=1S/C8H12O/c1-2-4-6-8-9-7-5-3-1/h1,3,5,7H,2,4,6,8H2/b3-1-,7-5-
InChIKeyFWNQNZMMPWWQHJ-RMKIQZFVSA-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

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Frequently Asked Questions

What is the IUPAC name of (6Z,8Z)-2,3,4,5-tetrahydrooxonine?
The IUPAC name of (6Z,8Z)-2,3,4,5-tetrahydrooxonine (CID 118239361) is (6Z,8Z)-2,3,4,5-tetrahydrooxonine.
What is the SMILES notation for (6Z,8Z)-2,3,4,5-tetrahydrooxonine?
The canonical SMILES for (6Z,8Z)-2,3,4,5-tetrahydrooxonine is C1=C\CCCCO\C=C/1.
What is the InChIKey of (6Z,8Z)-2,3,4,5-tetrahydrooxonine?
The InChIKey is FWNQNZMMPWWQHJ-RMKIQZFVSA-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/b3-1-,7-5-.
What are the key properties of (6Z,8Z)-2,3,4,5-tetrahydrooxonine?
(6Z,8Z)-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 (6Z,8Z)-2,3,4,5-tetrahydrooxonine is sourced from PubChem (CID 118239361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).