(4Z)-7-oxabicyclo[4.2.2]dec-4-en-8-one

C9H12O2 — CID 12510801

IUPAC(4Z)-7-oxabicyclo[4.2.2]dec-4-en-8-one
SMILESC/1CC2CCC(/C=C1)OC2=O
InChIInChI=1S/C9H12O2/c10-9-7-3-1-2-4-8(11-9)6-5-7/h2,4,7-8H,1,3,5-6H2/b4-2-
InChIKeyOGDZRIINUNOOAW-RQOWECAXSA-N
MW152.19 g/mol
LogP1.70
Rot. Bonds

About (4Z)-7-oxabicyclo[4.2.2]dec-4-en-8-one

(4Z)-7-oxabicyclo[4.2.2]dec-4-en-8-one (PubChem CID 12510801) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (4Z)-7-oxabicyclo[4.2.2]dec-4-en-8-one.

Molecular Properties

Compound Name(4Z)-7-oxabicyclo[4.2.2]dec-4-en-8-one
PubChem CID12510801
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(4Z)-7-oxabicyclo[4.2.2]dec-4-en-8-one
SMILESC/1CC2CCC(/C=C1)OC2=O
InChIInChI=1S/C9H12O2/c10-9-7-3-1-2-4-8(11-9)6-5-7/h2,4,7-8H,1,3,5-6H2/b4-2-
InChIKeyOGDZRIINUNOOAW-RQOWECAXSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity196

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,4a,5,7a-tetrahydro-3H-cyclopenta[b]pyran-2-one
CID 548667
3-ethyl-6-vinyltetrahydro-2H-pyran-2-one
CID 163360649
3,4,4a,5,6,8a-Hexahydrochromen-2-one
CID 12633607
(4aS,8aR)-3,4,4a,5,6,8a-hexahydrochromen-2-one
CID 70608789
(3S,6R)-6-(cyclohepten-1-yl)-3-methyloxan-2-one
CID 24795826
(3R,6R)-6-(cyclohepten-1-yl)-3-methyloxan-2-one
CID 24795827
4,8-Dimethyl-2-oxabicyclo[3.3.1]non-7-en-3-one
CID 72819433
7,8-Dimethyl-2-oxabicyclo[2.2.2]oct-5-en-3-one
CID 85312133
(6R)-6-[(E)-but-1-enyl]-3-methyloxan-2-one
CID 134870699
11-Oxatricyclo[8.2.2.02,9]tetradec-13-en-12-one
CID 135055117
3,3-Dimethyl-4,4a,5,7a-tetrahydrocyclopenta[b]pyran-2-one
CID 548669
2-Oxabicyclo[4.3.0]non-8-en-3-one, 4-methyl-, endo
CID 548679

Frequently Asked Questions

What is the IUPAC name of (4Z)-7-oxabicyclo[4.2.2]dec-4-en-8-one?
The IUPAC name of (4Z)-7-oxabicyclo[4.2.2]dec-4-en-8-one (CID 12510801) is (4Z)-7-oxabicyclo[4.2.2]dec-4-en-8-one.
What is the SMILES notation for (4Z)-7-oxabicyclo[4.2.2]dec-4-en-8-one?
The canonical SMILES for (4Z)-7-oxabicyclo[4.2.2]dec-4-en-8-one is C/1CC2CCC(/C=C1)OC2=O.
What is the InChIKey of (4Z)-7-oxabicyclo[4.2.2]dec-4-en-8-one?
The InChIKey is OGDZRIINUNOOAW-RQOWECAXSA-N. The full InChI is InChI=1S/C9H12O2/c10-9-7-3-1-2-4-8(11-9)6-5-7/h2,4,7-8H,1,3,5-6H2/b4-2-.
What are the key properties of (4Z)-7-oxabicyclo[4.2.2]dec-4-en-8-one?
(4Z)-7-oxabicyclo[4.2.2]dec-4-en-8-one has a molecular weight of 152.19 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-7-oxabicyclo[4.2.2]dec-4-en-8-one is sourced from PubChem (CID 12510801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).