(6E)-5,5-dimethylbicyclo[6.5.0]trideca-1(13),6,8,11-tetraen-2-one

C15H18O — CID 153357983

IUPAC(6E)-5,5-dimethylbicyclo[6.5.0]trideca-1(13),6,8,11-tetraen-2-one
SMILESCC1(C)/C=C\C2=CCC=CC=C2C(=O)CC1
InChIInChI=1S/C15H18O/c1-15(2)10-8-12-6-4-3-5-7-13(12)14(16)9-11-15/h3,5-8,10H,4,9,11H2,1-2H3/b10-8-
InChIKeyUBETVOUEIVOKHV-NTMALXAHSA-N
MW214.31 g/mol
LogP3.74
Rot. Bonds

About (6E)-5,5-dimethylbicyclo[6.5.0]trideca-1(13),6,8,11-tetraen-2-one

(6E)-5,5-dimethylbicyclo[6.5.0]trideca-1(13),6,8,11-tetraen-2-one (PubChem CID 153357983) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (6E)-5,5-dimethylbicyclo[6.5.0]trideca-1(13),6,8,11-tetraen-2-one.

Molecular Properties

Compound Name(6E)-5,5-dimethylbicyclo[6.5.0]trideca-1(13),6,8,11-tetraen-2-one
PubChem CID153357983
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(6E)-5,5-dimethylbicyclo[6.5.0]trideca-1(13),6,8,11-tetraen-2-one
SMILESCC1(C)/C=C\C2=CCC=CC=C2C(=O)CC1
InChIInChI=1S/C15H18O/c1-15(2)10-8-12-6-4-3-5-7-13(12)14(16)9-11-15/h3,5-8,10H,4,9,11H2,1-2H3/b10-8-
InChIKeyUBETVOUEIVOKHV-NTMALXAHSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6E)-5,5-dimethylbicyclo[6.5.0]trideca-1(13),6,8,11-tetraen-2-one?
The IUPAC name of (6E)-5,5-dimethylbicyclo[6.5.0]trideca-1(13),6,8,11-tetraen-2-one (CID 153357983) is (6E)-5,5-dimethylbicyclo[6.5.0]trideca-1(13),6,8,11-tetraen-2-one.
What is the SMILES notation for (6E)-5,5-dimethylbicyclo[6.5.0]trideca-1(13),6,8,11-tetraen-2-one?
The canonical SMILES for (6E)-5,5-dimethylbicyclo[6.5.0]trideca-1(13),6,8,11-tetraen-2-one is CC1(C)/C=C\C2=CCC=CC=C2C(=O)CC1.
What is the InChIKey of (6E)-5,5-dimethylbicyclo[6.5.0]trideca-1(13),6,8,11-tetraen-2-one?
The InChIKey is UBETVOUEIVOKHV-NTMALXAHSA-N. The full InChI is InChI=1S/C15H18O/c1-15(2)10-8-12-6-4-3-5-7-13(12)14(16)9-11-15/h3,5-8,10H,4,9,11H2,1-2H3/b10-8-.
What are the key properties of (6E)-5,5-dimethylbicyclo[6.5.0]trideca-1(13),6,8,11-tetraen-2-one?
(6E)-5,5-dimethylbicyclo[6.5.0]trideca-1(13),6,8,11-tetraen-2-one has a molecular weight of 214.31 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-5,5-dimethylbicyclo[6.5.0]trideca-1(13),6,8,11-tetraen-2-one is sourced from PubChem (CID 153357983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).