4-cyclohexylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-2,6-dione

C15H14O4 — CID 141310836

IUPAC4-cyclohexylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-2,6-dione
SMILESO=C1OC(=C2CCCCC2)OC(=O)c2ccc1cc2
InChIInChI=1S/C15H14O4/c16-13-10-6-7-11(9-8-10)14(17)19-15(18-13)12-4-2-1-3-5-12/h6-9H,1-5H2
InChIKeyGIYPZMXETKLSEZ-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.19
Rot. Bonds

About 4-cyclohexylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-2,6-dione

4-cyclohexylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-2,6-dione (PubChem CID 141310836) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-cyclohexylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-2,6-dione.

Molecular Properties

Compound Name4-cyclohexylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-2,6-dione
PubChem CID141310836
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name4-cyclohexylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-2,6-dione
SMILESO=C1OC(=C2CCCCC2)OC(=O)c2ccc1cc2
InChIInChI=1S/C15H14O4/c16-13-10-6-7-11(9-8-10)14(17)19-15(18-13)12-4-2-1-3-5-12/h6-9H,1-5H2
InChIKeyGIYPZMXETKLSEZ-UHFFFAOYSA-N
XLogP3.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-cyclohexylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-2,6-dione with MolForge

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Related Compounds

cyclohexane;3,6-dioxabicyclo[6.2.2]dodeca-1(10),8,11-triene-2,7-dione
CID 66700297
bicyclo[2.2.0]hexa-1,3,5-triene;cyclohexanone
CID 175231232
4,4,5,5,14,14,15,15,24,24,25,25,34,34,35,35-hexadecadeuterio-3,6,13,16,23,26,33,36-octaoxapentacyclo[36.2.2.28,11.218,21.228,31]octatetraconta-1(41),8,10,18,20,28(44),29,31(43),38(42),39,45,47-dodecaene-2,7,12,17,22,27,32,37-octone
CID 169440192
tetrakis(cyclohexylidenecyclohexane);phenol
CID 158567545
1,1'-biphenyl;cyclooctanone
CID 90108767
3,9-dioxatricyclo[9.2.2.14,8]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-2,10-dione
CID 54410730
9-oxa-2,3-diazatricyclo[9.2.2.24,7]heptadeca-1(14),2,4,6,11(15),12,16-heptaene-8,10-dione
CID 141471637
3,6,13,16,23,26,33,36-octaoxapentacyclo[36.2.2.28,11.218,21.228,31]octatetraconta-1(41),8,10,18,20,28(44),29,31(43),38(42),39,45,47-dodecaene-2,7,12,17,22,27,32,37-octone
CID 15089685
3,6,13,16,23,26-hexaoxatetracyclo[26.2.2.28,11.218,21]hexatriaconta-1(31),8,10,18(34),19,21(33),28(32),29,35-nonaene-2,7,12,17,22,27-hexone
CID 15089684
4-(hydroxymethylidene)-3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-2,6-dione
CID 139616658
oxacyclododecane-2,12-dione
CID 14785770
7,10-dioxatricyclo[10.2.2.22,5]octadeca-1(15),2(18),3,5(17),12(16),13-hexaene-6,11-dione
CID 67910781

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-2,6-dione?
The IUPAC name of 4-cyclohexylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-2,6-dione (CID 141310836) is 4-cyclohexylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-2,6-dione.
What is the SMILES notation for 4-cyclohexylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-2,6-dione?
The canonical SMILES for 4-cyclohexylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-2,6-dione is O=C1OC(=C2CCCCC2)OC(=O)c2ccc1cc2.
What is the InChIKey of 4-cyclohexylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-2,6-dione?
The InChIKey is GIYPZMXETKLSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c16-13-10-6-7-11(9-8-10)14(17)19-15(18-13)12-4-2-1-3-5-12/h6-9H,1-5H2.
What are the key properties of 4-cyclohexylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-2,6-dione?
4-cyclohexylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-2,6-dione has a molecular weight of 258.27 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-2,6-dione is sourced from PubChem (CID 141310836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).