(2Z,8Z)-4,5,6,7-tetrahydrooxonine

C8H12O — CID 5365711

IUPAC(2Z,8Z)-4,5,6,7-tetrahydrooxonine
SMILESC1=C\O/C=C\CCCC/1
InChIInChI=1S/C8H12O/c1-2-4-6-8-9-7-5-3-1/h5-8H,1-4H2/b7-5-,8-6-
InChIKeyBNQYPHLTPSOQKH-SFECMWDFSA-N
MW124.18 g/mol
LogP2.60
Rot. Bonds

About (2Z,8Z)-4,5,6,7-tetrahydrooxonine

(2Z,8Z)-4,5,6,7-tetrahydrooxonine (PubChem CID 5365711) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (2Z,8Z)-4,5,6,7-tetrahydrooxonine.

Molecular Properties

Compound Name(2Z,8Z)-4,5,6,7-tetrahydrooxonine
PubChem CID5365711
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(2Z,8Z)-4,5,6,7-tetrahydrooxonine
SMILESC1=C\O/C=C\CCCC/1
InChIInChI=1S/C8H12O/c1-2-4-6-8-9-7-5-3-1/h5-8H,1-4H2/b7-5-,8-6-
InChIKeyBNQYPHLTPSOQKH-SFECMWDFSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z,8Z)-4,5,6,7-tetrahydrooxonine?
The IUPAC name of (2Z,8Z)-4,5,6,7-tetrahydrooxonine (CID 5365711) is (2Z,8Z)-4,5,6,7-tetrahydrooxonine.
What is the SMILES notation for (2Z,8Z)-4,5,6,7-tetrahydrooxonine?
The canonical SMILES for (2Z,8Z)-4,5,6,7-tetrahydrooxonine is C1=C\O/C=C\CCCC/1.
What is the InChIKey of (2Z,8Z)-4,5,6,7-tetrahydrooxonine?
The InChIKey is BNQYPHLTPSOQKH-SFECMWDFSA-N. The full InChI is InChI=1S/C8H12O/c1-2-4-6-8-9-7-5-3-1/h5-8H,1-4H2/b7-5-,8-6-.
What are the key properties of (2Z,8Z)-4,5,6,7-tetrahydrooxonine?
(2Z,8Z)-4,5,6,7-tetrahydrooxonine has a molecular weight of 124.18 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,8Z)-4,5,6,7-tetrahydrooxonine is sourced from PubChem (CID 5365711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).