(5Z,7Z,9Z,11Z)-1,6,10,14-tetramethyl-3-oxabicyclo[11.4.0]heptadeca-5,7,9,11,13-pentaen-4-one

C20H26O2 — CID 6441318

IUPAC(5Z,7Z,9Z,11Z)-1,6,10,14-tetramethyl-3-oxabicyclo[11.4.0]heptadeca-5,7,9,11,13-pentaen-4-one
SMILESCC1=C2/C=C\C(C)=C/C=C\C(C)=C/C(=O)OCC2(C)CCC1
InChIInChI=1S/C20H26O2/c1-15-7-5-8-16(2)13-19(21)22-14-20(4)12-6-9-17(3)18(20)11-10-15/h5,7-8,10-11,13H,6,9,12,14H2,1-4H3/b8-5-,11-10-,15-7-,16-13-
InChIKeyDWJUHYIVNCKLEX-HNOITZCKSA-N
MW298.43 g/mol
LogP5.05
Rot. Bonds

About (5Z,7Z,9Z,11Z)-1,6,10,14-tetramethyl-3-oxabicyclo[11.4.0]heptadeca-5,7,9,11,13-pentaen-4-one

(5Z,7Z,9Z,11Z)-1,6,10,14-tetramethyl-3-oxabicyclo[11.4.0]heptadeca-5,7,9,11,13-pentaen-4-one (PubChem CID 6441318) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is (5Z,7Z,9Z,11Z)-1,6,10,14-tetramethyl-3-oxabicyclo[11.4.0]heptadeca-5,7,9,11,13-pentaen-4-one.

Molecular Properties

Compound Name(5Z,7Z,9Z,11Z)-1,6,10,14-tetramethyl-3-oxabicyclo[11.4.0]heptadeca-5,7,9,11,13-pentaen-4-one
PubChem CID6441318
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name(5Z,7Z,9Z,11Z)-1,6,10,14-tetramethyl-3-oxabicyclo[11.4.0]heptadeca-5,7,9,11,13-pentaen-4-one
SMILESCC1=C2/C=C\C(C)=C/C=C\C(C)=C/C(=O)OCC2(C)CCC1
InChIInChI=1S/C20H26O2/c1-15-7-5-8-16(2)13-19(21)22-14-20(4)12-6-9-17(3)18(20)11-10-15/h5,7-8,10-11,13H,6,9,12,14H2,1-4H3/b8-5-,11-10-,15-7-,16-13-
InChIKeyDWJUHYIVNCKLEX-HNOITZCKSA-N
XLogP5.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5Z,7Z,9Z,11Z)-1,6,10,14-tetramethyl-3-oxabicyclo[11.4.0]heptadeca-5,7,9,11,13-pentaen-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z,9Z,11Z)-1,6,10,14-tetramethyl-3-oxabicyclo[11.4.0]heptadeca-5,7,9,11,13-pentaen-4-one?
The IUPAC name of (5Z,7Z,9Z,11Z)-1,6,10,14-tetramethyl-3-oxabicyclo[11.4.0]heptadeca-5,7,9,11,13-pentaen-4-one (CID 6441318) is (5Z,7Z,9Z,11Z)-1,6,10,14-tetramethyl-3-oxabicyclo[11.4.0]heptadeca-5,7,9,11,13-pentaen-4-one.
What is the SMILES notation for (5Z,7Z,9Z,11Z)-1,6,10,14-tetramethyl-3-oxabicyclo[11.4.0]heptadeca-5,7,9,11,13-pentaen-4-one?
The canonical SMILES for (5Z,7Z,9Z,11Z)-1,6,10,14-tetramethyl-3-oxabicyclo[11.4.0]heptadeca-5,7,9,11,13-pentaen-4-one is CC1=C2/C=C\C(C)=C/C=C\C(C)=C/C(=O)OCC2(C)CCC1.
What is the InChIKey of (5Z,7Z,9Z,11Z)-1,6,10,14-tetramethyl-3-oxabicyclo[11.4.0]heptadeca-5,7,9,11,13-pentaen-4-one?
The InChIKey is DWJUHYIVNCKLEX-HNOITZCKSA-N. The full InChI is InChI=1S/C20H26O2/c1-15-7-5-8-16(2)13-19(21)22-14-20(4)12-6-9-17(3)18(20)11-10-15/h5,7-8,10-11,13H,6,9,12,14H2,1-4H3/b8-5-,11-10-,15-7-,16-13-.
What are the key properties of (5Z,7Z,9Z,11Z)-1,6,10,14-tetramethyl-3-oxabicyclo[11.4.0]heptadeca-5,7,9,11,13-pentaen-4-one?
(5Z,7Z,9Z,11Z)-1,6,10,14-tetramethyl-3-oxabicyclo[11.4.0]heptadeca-5,7,9,11,13-pentaen-4-one has a molecular weight of 298.43 g/mol, XLogP of 5.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z,9Z,11Z)-1,6,10,14-tetramethyl-3-oxabicyclo[11.4.0]heptadeca-5,7,9,11,13-pentaen-4-one is sourced from PubChem (CID 6441318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).